ICAMS Members

Prof. Dr. Alexander Hartmaier

Director

Chair of Micromechanical and Macroscopic Modelling

ICAMS
Ruhr-Universität Bochum
IC 02-517
Universitätsstr. 150
44801 Bochum

Tel. +49 234 32 29314
Fax: +49 234 32 14984
Email: Alexander Hartmaier

Research Interests:

Micromechanical simulation
Prediction of macroscopic materials behaviour
Dislocation dynamics
Large-scale atomistic simulation

ORCID ID: 0000-0002-3710-1169

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Towards prediction of springback in deep drawing using a micromechanical modeling scheme

207

Micromechanical modeling of fatigue crack initiation in polycrystals

Micromechanical Modeling Approach to Derive the Yield Surface for BCC and FCC Steels Using Statistically Informed Microstructure Models and Nonlocal Crystal Plasticity

The shear instability energy: a new parameter for materials design?

A study on microstructural parameters for the characterization of granular porous ceramics using a combination of stochastic and mechanical modeling

Vom Atom zum Bauteil und zurück

Interaction between phase transformations and dislocations at incipient plasticity of monocrystalline silicon under nanoindentation

131

3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model

102

A crystal plasticity smooth-particle hydrodynamics approach and its application to equalchannel angular pressing simulation

Springback prediction and reduction in deep drawing under influence of unloading modulus degradation

Direction-dependent mechanical characterization of cellulose-based composite vulcanized fiber

A CSF-SPH method for simulating drainage and imbibition at pore-scale resolution while tracking interfacial areas

Microstructure design of tempered martensite by atomistically informed full-field simulation: From quenching to fracture

Influence of the twin microstructure on the mechanical properties in magnetic shape memory alloys

108

Stacking fault based analysis of shear mechanisms at interfaces in lamellar TiAl alloys

106

Interplanar potential for tension-shear coupling at grain boundaries derived from ab initio calculations

Formulation of nonlocal damage models based on spectral methods for application to complex microstructures

147

Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper

280

Primary combination of phase-field and discrete dislocation dynamics methods for investigating athermal plastic deformation in various realistic Ni-base single crystal superalloy microstructures

Atomistic investigation of wear mechanisms of a copper bi-crystal

332-333

Investigating the influence of crystal orientation on bending size effect of single crystal beams

101

Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study

A study of deformation and phase transformation coupling for TRIP-assisted steels

The modeling scheme to evaluate the influence of microstructure features on microcrack formation of DP-steel: the artificial microstructure model and its application to predict the strain hardening behavior

Modeling the microstructure influence on fatigue life variability in structural steels

Interface properties in lamellar TiAl microstructures from density functional theory

Coupled atomistic-continuum study of the effects of C atoms at α-Fe dislocation cores

Plastic deformation modelling of tempered martensite steel block structure by a nonlocal crystal plasticity model

Transition of effective hydraulic properties from low to high Reynolds number flow in porous media

Hydrogen embrittlement of a carbon segregated Σ5(310)[001] symmetrical tilt grain boundary in α-Fe

612

Atomistic study of the influence of lattice defects on the thermal conductivity of silicon

Microstructural characterization of shape memory alloys on the atomic scale

On the influence of isotropic and kinematic hardening caused by strain gradients on the deformation behaviour of polycrystals

Multiscale modelling of nanoindentation: from atomistic to continuum models

203

Ab initio calculation of traction separation laws for a grain boundary in molybdenum with segregated C impurites

Mechanisms of anisotropic friction in nanotwinned Cu revealed by atomistic simulations

On the crystallographic anisotropy of nanoindentation in pseudoelastic NiTi

Continuum simulation of the evolution of dislocation densities during nanoindentation

Mechanisms of crazing in glassy polymers revealed by molecular dynamics simulations

The mechanical shear behavior of Al single crystals and grain boundaries

112

Atomistic simulation of the influence of nanomachining-induced deformation on subsequent nanoindentation

Atomistically informed crystal plasticity model for body-centered cubic iron

A micromechanical damage simulation of dual phase steels using XFEM

Twin boundary spacing-dependent friction in nanotwinned copper

Scale bridging modeling of plastic deformation and damage initiation in polycrystals

Determination of plastic material properties by analysis of residual imprint geometry of indentation

A scheme to combine molecular dynamics and dislocation dynamics

A novel approach to study dislocation density tensors and lattice-rotation patterns in atomistic simulations

On the formation of vacancies by edge dislocation dipole annihilation in fatigued copper

Mechanisms of grain boundary softening and strain-rate sensitivity in deformation of ultrafine-grained metals at high temperatures

Influence of dislocation density on the pop-in behavior and indentation size effect in CaF(2) single crystals: Experiments and molecular dynamics simulations

Micro-shear deformation of pure copper

Simulation of fracture in heterogeneous elastic materials with cohesive zone models

168

Atomistic processes of dislocation generation and plastic deformation during nanoindentation

Solubility of carbon in α-iron under volumetric strain and close to the Σ5(310)[001] grain boundary: Comparison of DFT and empirical potential methods

A two-dimensional dislocation dynamics model of the plastic deformation of polycrystalline metals

Multiscale simulations on the grain growth process in nanostructured materials

Determining Burgers vectors and geometrically necessary dislocation densities from atomistic data

Ab initio tensile tests of Al bulk crystals and grain boundaries: universality of mechanical behaviour

Influence of crystal anisotropy on elastic deformation and onset of plasticity in nanoindentation: A simulational study

107

How dislocation substructures evolve during long-term creep of a 12% Cr tempered martensitic ferritic steel

Phase-field model with plastic flow for grain-growth in nanocrystalline material

Transformation induced plasticity modelling based on micromechanical approaches

Polycrystalline material deformation modeling with grain boundary sliding and damage accumulation

522

Development of a method to determine Burgers vectors from atomistic data

240

Modeling size effects on fracture toughness by dislocation dynamics

Pair vs many-body potentials: influence on elastic and plastic behavior in nanoindentation of fcc metals

Microstructural evolution during deformation of tin dioxide nanoparticles in a comminution process

Ab initio investigation of diamond coatings on steel

Analyzing crack-tip dislocations and their shielding effect on fracture toughness

A 483

Loading rate dependence of the fracture toughness of polycrystalline tungsten in the brittle and semi-brittle regime: experiments and modelling

^th

Fracture toughness of layered structures: Embrittlement due to confinement of plasticity

The strength limit in a bio-inspired metallic nanocomposite

Crack tip dislocations and its shielding effect

561-565

A combined dislocation - cohesive zone model for fracture in a confined ductile layer

140

Discrete dislocation dynamics simulations of surface induced size effects in plasticity

A 415

The dynamical complexity of work-hardening: a large-scale molecular dynamics simulation

Two-dimensional discrete dislocation models of deformation in polycrystalline thin metal films on substrates

400-401

Multiscale modeling of deformation in polycrystalline thin metal films on substrates

Thermal activation of crack-tip plasticity: The brittle or ductile response of a stationary crack loaded to failure

Hierarchical multi-scale modelling of plasticity of submicron thin metal films

Atomic plasticity: description and analysis of a one-billion atom simulation of ductile materials failure

193

Grain-structure evolution after surface plastic deformation of nanocrystals

Analysis of a one-billion atom simulation of work-hardening in ductile materials

821

Constrained grain boundary diffusion in thin copper films

821

Discrete dislocations dynamics simulation of crack-tip plasticity

A discrete dislocation plasticity model of creep in polycrystalline thin films

224-225

Models for fracture toughness in the semi-brittle regime

Chip formation in cellular materials

125

Atomistic and continuum studies of crack-like diffusion wedges and associated dislocation mechanisms in thin films on substrates

Continuum and atomistic studies of crack-like diffusion wedges

779

Scaling relations for crack-tip plasticity

A 82

Modeling work hardening in thin metal films on substrates

The brittle-to-ductile transition and dislocation activity at crack tips

Image stresses in a free-standing thin film

Mesoscopic simulation of dislocation activity at crack tips

539

3D discrete dislocation models of thin-film plasticity.

505

Controlling factors for the brittle-to-ductile transition in tungsten single crystals

282

On the activation energy for the brittle/ductile transition

202

Transition flow in an impact pressure probe: Relevance of gas–wall interaction

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Micromechanical modeling of fatigue crack initiation in aluminium 2024

EUROMAT 2017, Tessaloniki, Greece

Modelling and Experiment of Material-Oriented Micro/Nano Manufacturing

Sino-German Symposium "Modeling and Experiment of Material-oriented Micro/Nano Manufacturing", Harbin, China.

Atomistically informed continuum models for deformation and fracture of materials

International Symposium on Multiscale Computational Analysis of Complex Materials, August 29-31, 2017, Copenhagen, Denmark

Deformation and fracture at grain boundaries: Can we include atomistic effects in mesoscale descriptions via a few physical parameters?

14th International Conference on Fracture, Ixia, Rhodos, Greece

Atomistic origins of deformation at grain boundaries in Al and TiAl

Spring Meeting of the European Materials Research Society (E-MRS 2017), Strasbourg, France

Grain boundary properties: Insights from atomistic simulations and their use in mechanical modeling of materials

SFB 986 Materials Science Colloquium, Techcnical University Hamburg, Germany

Virtuelle und reale Härteprüfung: Wie gelingt die Verknüpfung von Experiment und Simulation?

Tagung Werkstoffprüfung 2016, Neu-Ulm, Germany

Atomistically informed continuum models for deformation and fracture of materials

MICOS 2016: International Conference on Microscale Morphology of Component Surfaces, TU Kaiserslautern, Germany

Ion beam nanofabrication and its applications in nano-optics and bio-sensing

Special Seminar at Cardiff University, Cardiff, UK

Atomistically informed continuum models for plasticity and fracture

8^th International Conference on Materials Structure and Micromechanics of Fracture, Brno, Czech Republic

Molecular dynamics simulation of focused Ga ion beam induced nanoscale damage on silicon and its annealing recovery mechanism

EMN 2016: Energy Materials and Nanotechnology, Prague, Czech Republic

What does nanoscale testing and modeling teach us on macroscopic material behavior?

Colloquium of the Department of Materials, University of Oxford, UK

Constitutive relationships for grain boundaries from atomistic simulations

ICAMS Advanced Discussions 2016, Bochum, Germany

Atomistically informed crystal plasticity models

Schöntal Symposium Dislocation-based Plasticity, Schöntal, Germany

Advances in scalebridging modeling of deformation and fracture in martensitic steels

Colloquium at NTNU Trondheim, Norway, February 19, 2016.

Atomistically informed continuum models for plasticity, damage and fracture of martensitic steels

International Symposium on Microstructure and Mechanical Properties of Advanced Metallic Materials, Erlangen, Germany

Micromechanical modeling (I. heterogeneous materials, II. microstructure evolution)

French-German Summer School on Evolutionary Solid Bodies, Bollendorf, Germany

Microstructure informed constitutive models and their applications

Ohio State University, Columbus, USA

The higher order nonlocal constitutive model and its application to multiphase materials

International Symposium of Plasticity 2015, Montego Bay, Jamaica

Atomistically informed continuum models for plasticity and fracture of tempered martensite

International Symposium of Plasticity 2015, Montego Bay, Jamaica

Atomistically informed continuum models for plasticity and fracture of martensitic steels

24^th International Workshop on Computational Mechanics of Materials, Madrid, Spain

What does nanoscale testing and modeling teach us on macroscopic material behavior?

Gordon Research Conference on Thin Films and Small Scale, Boston, USA

Micromechanical modelling of multiphase steels

THERMEC 2013, Las Vegas, USA

Atomistically informed crystal plasticity model for bcc iron

Workshop "Plasticity and Crack Initiation in Steels", Leoben, Austria

Effect of substrate topography on adhesion properties of polymer coatings

Sitzung DGM-Fachausschuss „Hybride Werkstoffe und Strukturen“, Kaiserslautern, Germany

Numerical simulation of cyclic microcrack growth capability using a crystal plasticity based material model and its experimental validation

23^rd International Workshop on Computational Mechanics of Materials (IWCMM), Singapore

Atomistically informed continuum models for fracture

AK Mikrostrukturmechanik, Hochschule Osnabrück, Osnabrück, Germany

Atomistically informed continuum models for plasticity and failure of metals

KU Leuven, Leuven, Belgium

High-performance computing in materials science: current applications and challenges

Festcolloquium zur JUQUEEN-Einweihung, Foschungszentrum Jülich, Jülich, Germany

Atomistic and continuum modelling of phase transformations

International workshop "Nanostructured titanium based alloys for medical applications", Ein Gedi, Israel

Mikrostrukturentwicklung bei plastischer Verformung: Atomistische und kontinuumsmechanische Modellierung

SFB 926–Kolloquium, Kaiserslautern, Germany

Atome, Kristalle, Werkstoffe: Skalenüberbrückende Modellierung in der Werkstoffmechanik

VDI Materials Day, Osnabrück, Germany

Modeling phase transformations during mechanical loading

GAMM, Darmstadt, Germany

Large-scale molecular dynamics studies of dislocation dynamics, plasticity and fracture of materials

Winter School, Forschungszentrum Jülich, Germany

Micromechanical modelling of mechanical properties of multiphase materials

International Symposium on Plasticity, San Juan, Puerto Rico

Modeling phase transformations during mechanical loading

3^rd Sino German Symposium 2011, Xi'an, China

Atomistic modeling of deformation of shape memory alloys: influence of crystal orientation

8^th Workshop on Advanced Intermetallic and Metallic Materials, Changsha, China

Atoms, crystals, materials: multiscale modeling of mechanical material behavior

Colloquium at Harbin Institute of Technology, Harbin, China

Atome, Kristalle, Werkstoffe: Skalenüberbrückende Modelle in der Werkstoffmechanik

Karlsruher Werkstoffkolloquium, Karlsruhe, Germany

Modellierung von Schädigung und Bruch in mehrphasigen Gefügen

10. Tagung Gefüge und Bruch, Bochum

Atome, Kristalle, Werkstoffe: Skalenüberbrückende Modellierung des Materialverhaltens

Physikalisches Kolloquium, TU Dresden, Dresden, Germany

Atomistically informed continuum models for deformation and failure of multiphase steels

Materials Research Society (MRS) Fall Meeting 2010, Boston, USA

Scale-bridging modelling of mechanical properties of interfaces

468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany

Influence of mechanical stresses on grain growth mechanisms in nanocrystalline materials

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

Mikromechanische Modellierung

SZMF (Salzgitter Mannesmann Forschung) Summerschool Duisburg, Germany

Dislocation dynamics models of deformation of ultra-fine-grained metals

DGM - Arbeitskreis Mikrostrukturmechanik, Aachen, Germany

Vorhersage von Werkstoffeigenschaften durch skalenüberbrückende Modellierung

DGM Strategieworkshop 'Modern Metals' Bonn, Germany

Verformung und Bruch von Grenzflächen-dominierten Werkstoffen

Kolloquium des Instituts für Werkstofftechnik, Universität Siegen, Siegen, Germany

Deformation of ultra-fine-grained and nanocrystalline metals: role of dislocation-grain boundary interaction

Fall Meeting of the Materials Research Society (MRS), Boston (MA), USA

Probing mechanical properties of interfaces with nanoindentation: results of large scale atomistic simulations

ECI Conference on Nanomechanical Testing 2009, Barga, Italy

Deformation and failure of interface-dominated materials

International Conference on the Strength of Materials, Dresden, Germany

Idee und Wirklichkeit: Wie helfen Computersimulationen bei derWerkstoffentwicklung?

Physikalisches Kolloquium der Fakultät Physik und Astronomie, Ruhr-Universität Bochum, Germany

Idea and reality: computer simulations as a tool for material design

Science College of the RUB Research School, Ruhr-Universität Bochum, Germany

Multiscale simulation and experimental investigation of grain growth in nanocrystalline metals.

Asia Steel Conference, Busan, South Korea

Interdisciplinary Centre for Advanced Materials Simulation – Multiscale modelling of mechanical properties of materials

Committee On Technology Meeting (TechCo-41), Düsseldorf, Germany

Skalenübergreifende Modellierung von Verformung und Bruch von Grenzflächen-dominierten Materialien

Forschungszentrum Jülich, Germany

Skalenüberbrückende Werkstoffmodellierung: Stand der Wissenschaft und Anwendbarkeit in der Praxis

TU Chemnitz, Germany

Idea and reality: how computer simulations support the design of new materials?

Faculty of Chemistry, Ruhr-Universität Bochum, Germany

Dislocations and grain boundaries: how do nanomaterials deform?

International Conference on Plasticity, St. Thomas (VI), USA

Large-scale atomistic simulations of deformation induced grain growth and grain refinement

International Conference on Plasticity, St. Thomas (VI), USA

Scale-bridging modeling of deformation and failure mechanisms in nanostructured metals

Materials Modelling Lab Seminar, Oxford University, Oxford, UK

Idee und Wirklichkeit: Wie helfen Computersimulationen bei der Werkstoffentwicklung?

Physikalisches Kolloquium der Fakultät Physik und Astronomie, Bochum

Strain rate dependence of the fracture toughness of polycrystalline tungsten in the brittle and semi-brittle regime: experiments and modelling

17th European Conference on Fracture, 2008, Brno, Czech Republic

Modelling size effect on fracture toughness in semi-brittle crystals by dislocation dynamics

Materials Science and Engineering 2008, Nürnberg

Ab initio study of the ternary layered system Ti-Al-C

Materials Science and Engineering 2008, Nürnberg

2D-dislocation dynamics study of plasticity in ultra fine grained metals

Materials Science and Engineering 2008, Nürnberg, Germany

Determination of burgers vectors from atomistic data

Materials Science and Engineering 2008, Nürnberg

CVD-diamond coatings on heat-treatable steels – experimental and computational Investigation of the adhesive layer system Cr/CrxCy/diamond

Materials Science and Engineering 2008, Nürnberg, Germany

Micromechanical modelling of macroscopic material behaviour

3rd Computational Materials Science Workshop, Ebernburg, Bad Münster am Stein

Interfacial strength: ab-initio calculation of cohesive zone parameters

8th World Congress on Computational Mechanics WCCM8, Venice, Italy

Multiscale simulation of deformation and failure mechanisms in nanostructured materials

Seminar of Institute of High-Performance Computing, Singapore

Large-Scale atomistic simulations of nanoindentation: Dislocation structures and size effects

Materialwissenschaftliches Kolloquium, TU Darmstadt

Are atomistic simulations with millions of atoms useful for solid mechanics?

Mechanics of Time Dependent Materials Conference, Monterey, California, USA

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From inter-atomic forces to stress fields at a crack tip - incorporating the results of atomistic calculations into continuum models

2018 Frühjahrstagung der Deutschen Physikalischen Gesellschaft, Berlin, Germany, 11 - 16 March 2018

Adressing an indentation size effect (ISE) in the nanoindentation test using a nonlocal crystal plasticity model

RUB Materials Day Ruhr-Universität Bochum, Germany

Parameterization of a nonlocal crystal plasticity model by nanoindentation and inverse modeling

27th International Workshop on Computional Mechanics of Materials (IWCMM27), Leuven, Belgium

Towards prediction of springback in deep drawing using a micromechanical modelling scheme

The 12th International Conference on Technology of Plasticity (ICTP2017), Cambridge, UK

Parameterization of a nonlocal crystal plasticity model for tempered martensite by nanoindentation and inverse modelling

XIV International Conference on Computational Plasticity. Fundamental and Applications (COMPLAS 2017), Barcelona, Spain

Study of the influence of cyclic loading on the surface deformation using micromechanical modeling scheme

Sino-German Symposium „Modelling and Experiment of Material-Oriented Micro/Nano Manufacturing”, Harbin, China

Micromechanical modeling of fatigue using crystal plasticity finite element method

Haël Mughrabi Honorary Symposium & 28th Colloquium on Fatigue Mechanisms, Erlangen, Germany

Towards prediction of springback in deep drawing using a micromechanical modelling scheme

ICAMS Advanced Discussions, Bochum, Germany

The shear instability energy as a new parameter to characterise deformation behaviour of materials

German Physical Society Spring Meeting, Dresden, Germany.

Effects of manganese on the hydrogen embrittlement of a Carbon segregated grain boundary in α-Fe

ADIS 2016, Tegernsee, Germany

Micromechanical modeling of hydrogen embrittlement in martensitic steel

MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany

Molecular dynamics simulations of nano-indentation in lamellar microstructures of TiAl

MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany

Shear mechanisms at interfaces in lamellar TiAl alloys from atomistic simulations

MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany

Micromechanical modeling of hydrogen embrittlement in martensitic steel

International Hydrogen Conference 2016, Grand Teton National Park, USA

Ion beam nanofabrication and its applications in bio-sensing & Si/SiC brittle materials’ nanocutting under SEM

Seminar at Centre for Precision Manufacturing at the University of Strathclyde, Glasgow, UK

Diamond cutting tool’s nanofabrication with focused ion beam

1^st International Conference on Helium Ion Microscopy and Emerging Focused Ion Beam Technologies, Luxembourg

Constitutive relationships for grain boundaries from atomistic simulations for multiscale mechanical modelling of metallic microstructures

Materials Chain International Conference 2016, Bochum, Germany

Advances in scalebridging modeling of deformation and fracture in martensitic steels

Materials Chain International Conference 2016, Bochum, Germany

Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic iron

RUB Research Day 2015, Bochum, Germany

Free energy function of dislocation densities by large scale atomistic simulations

Nanomechanical Testing in Materials Research and Development V, Albufeira, Portugal

Interplanar potential for tension-shear coupling at grain boundaries from ab initio calculations

25^th International Workshop on Computational Micromechanics, Bochum, Germany

Atomistic modeling of carbon segregation and its influence on dislocation mobility in ferritic iron

Euromat 2015, Warsaw, Poland

Characterization of porous ceramics derived from a combination of stochastic and mechanical modeling

4^th International Conference on Material Modeling, Berkeley, USA

Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study

12^th International Conference on the Mechanical Behavior of Materials, Karlsruhe, Germany

Crystal plasticity modeling of porosity reduction in an as-cast Ni-base single crystal superalloy during hot isostatic pressing

12^th International Conference on the Mechanical Behavior of Materials, Karlsruhe, Germany

CPFEM modeling of porosity reduction in an as-cast Ni-base single crystal superalloy under HIP

Gordon Research Conference Physical Metallurgy 2015, Maine, USA

Shearing behaviour of interfaces: Linking intrinsic properties with deformation mechanisms

DPG Spring Meeting 2015, Berlin, Germany

Hydrogen embrittlement of a carbon segregated symmetrical tilt grain boundary in α-Fe

DPG Spring Meeting 2015, Berlin, Germany

3D discrete dislocation dynamics study of plastic deformation in various Ni-base single crystal superalloy microstructures obtained by phase-field method

International Workshop on Dislocation Dynamics Simulations: Trends and Challenges Saclay, France

The optimum microstructure fatigue resistance: a micromechanical solution to an inferential statistics problem

XXIV International Workshop on Computational Micromechanics of Materials, Madrid, Spain

Structural steel endurance: towards the optimum microstructure fatigue resistance

Materials Science and Engineering MSE 2014, Darmstadt, Germany

Atomistic study of deformation mechanisms in TiAl-Ti₃Al lamellar microstructure

Materials Science and Engineering MSE, Darmstadt, Germany

An integrated crystal-plasticity and phase-field simulation framework

EMMC14 - European Mechanics of Materials Conference, Gothenburg, Sweden

Scalebridging simulation of microstructure and mechanical properties of martensitic steel

ICAMS Advanced Discussions 2014, Bochum, Germany

Application of crystal plasticity to cyclic loading

European Conference on Fracture, Trondheim, Norway

The fatigue limit of steel: a numerical solution to the short cracks problem

The 2nd International Symposium on Fatigue Design & Material Defects, Paris, France

Crystal plasticity phase transformation model for metastable austenitic stainless steel

3^rd international workshop on physics-based models and experimental verification, Cesme, Turkey

Steel endurance: from microstructure to fatigue properties

29^th Aachen Stahlkolloquium, Aachen, Germany

Crystal plasticity phase transformation model for metastable austenitic stainless steel

Winter School International Seminar on Process Chain Simulation and Related Topics, Institute of Technology, Karlsruhe, Germany

Coupling crystal plasticity and phase-field methods

Winter School International Seminar on Process Chain Simulation and Related Topics, Institute of Technology, Karlsruhe, Germany

Mechanical properties of interfaces in TiAl α₂/γ lamellar microstructures: atomistic study

Winter School International Seminar on Process Chain Simulation and Related Topics, Institute of Technology, Karlsruhe, Germany

Application of J₂- and crystal plasticity to cyclic loading conditions: accumulation of plastic strains

Winter School International Seminar on Process Chain Simulation and Related Topics, Institute of Technology, Karlsruhe, Germany

Micromechanical modelling of tempered martensite

Schöntal symposium on dislocation based plasticity, Schöntal, Germany

Modelling and understanding the strength of grain boundaries based on ab initio results

TMS Annual Meeting and Exhibition, San Diego, USA

Reduction effect on thermal conductivity of silicon by defect structures investigated from atomistic level

TMS Annual Meeting and Exhibition, San Diego USA

Large-scale molecular dynamics simulating of growth, microstructure and properties of plasma-spray coatings

Institute of Energy and Climate Research (IEK-1), Forschungszentrum Jülich, Jülich, Germany

Large-scale molecular dynamics simulation of growth, microstructure and properties of plasma-spray coatings

ICAMS Advanced Discussions, Bochum, Germany

Coupled diffusion-displacement modelling of crack propagation on double cantilever beam specimens

ICAMS Advanced Discussions, Bochum, Germany

Superalloys: microstructure evolution modelling and creep deformation

ICAMS Advanced Discussions, Bochum, Germany

Interface properties and deformation mechanism of TiAl α2/γ lamellar microstructures from atomistic simulations

Materials Day 2013, Ruhr-Universität Bochum, Bochum, Germany

Effective hydraulic properties of sphere packings by microscopic SPH analysis

ALERT Geomaterials Poster Session 2013, Aussois, France

Interface properties and grain boundary mechanics in a TiAl γ/α₂ lamellar microstructure through atomistic simulations

DGM Intermetallics 2013, Bad Staffelstein, Germany

Effective hydraulic properties of porous media by pore-scale smoothed particle hydrodynamics analysis

3^rd International Conference on Particle-Based Methods: PARTICLES 2013, Stuttgart, Germany

Surface roughness effect on static, dynamic and mechanical properties of polymers at interfaces

3^rd International Conference on Material Modelling (ICMM), Warsaw, Poland

Mechanical properties and deformation behaviour of TiAl/Ti₃Al lamellar microstructures: an atomistic study

EUROMAT 2013, Sevilla, Spain

Effect of impurities on inter-granular fracture strength of body centered cubic metals

EUROMAT 2013, Sevilla, Spain

Crystal plasticity phase transformation model for metastable austenitic stainless steel

EUROMAT 2013, Sevilla, Spain

Effect of substrate topography on adhesion properties of polymer coatings

7^th International Discussion Meeting on Relaxation in Complex Systems, Barcelona, Spain

Study of creep behaviour of cobalt-base superalloy single crystal by 3D discrete dislocation dynamics

International workshop on advanced cobalt-base superalloys, Erlangen, Germany

Micromechanical modelling based on 3D microstructures

European Congress on Stereology, Kaiserslautern, Germany

Microstructure based fatigue simulations using conventional and crystal plasticity

Mikrostrukturmechanik im DGM-FA Computersimulation, Osnabrück, Germany

Application of crystal plasticity to cyclic loading and comparison to conventional plasticity

13^th International Conference of Fracture, Beijing, China

Atomistically informed continuum models for fracture

13^th International Conference on Fracture, Beijing, China

Analysis of hydrogen assisted fracture in martensitic steels

13^th International Conference on Fracture, Beijing, China

Application of disclination dynamic: twin boundary motion in magnetic shape-memory alloys

ICFSMA'13, Boise, USA

Scalebridging descriptions of mechanical properties of multiphase materials

ICAMS² 2013, International Colloquium on Advanced Materials Simulation, Bochum, Germany

Deformation at high temperature (creep in Ni-based superalloys)

ICAMS² 2013, Ruhr-Universität Bochum, Bochum, Germany

Polymer/substrate interfaces: simulation of structure, properties and behaviour

ICAMS² 2013, International Colloquium on Advanced Materials Simulation, Bochum, Germany

Ab-initio prediction of the critical thickness of a coherent precipitate

DPG Spring Meeting 2013, Regensburg, Germany

On the coupling of crystal-plasticity and the phase-field method

SiMiDe Spring School, Bochum, Germany

Computational study of the intergranular fracture strength of transition metals in the presence of impurity atoms

DPG Spring Meeting 2013, Regensburg, Germany

Reduction of lattice thermal conductivity of silicon by defects investigated by molecular dynamics

SiMiDe Spring School, Bochum, Germany

Mechanical properties of fully lamellar TiAl alloys obtained from a DFT study

DPG Spring Meeting 2013, Regensburg, Germany

Effect of substrate topography on mechanical properties of glassy polymer coatings

ADGLASS Workshop 2012, Bremen, Germany

The role of coherency strain in the evolution of a metastable precipitate in a molybdenum-carbon binary system

Materials Day 2012, Ruhr-University Bochum, Germany

In-situ micro shear experiments on fcc-metals in the scanning electron microscope

10^{th Materials Day, Ruhr-Universität bochum, Bochum, Germany}

Role of grain and phase boundaries on deformation and internal stresses during deformation of TRIP assisted multiphase steels

Materials Day Ruhr-University Bochum, Bochum, Germany

Multiscale modelling of the influence of C on the intergranular-fracture strength of bcc Mo, W and Fe

MMM 2012 - 6^th International Conference on Multiscale Materials Modeling, Biopolis, Singapore

Effect of surface roughness on cohesive bonding of polymer-solid interfaces

MMM 2012 - 6^th International Conference on Multiscale Materials Modeling, Biopolis, Singapore

Efficient ab-initio characterisation of the mechanical behavior of grain boundaries

MMM 2012 - 6^th International Conference on Multiscale Materials Modeling, Biopolis, Singapore

The role of coherency strain in the evolution of a metastable precipitate in the molybdenum-carbon binary system

MMM 2012, 6^th international conference on multiscale materials modeling, Biopolis, Singapore

Crystal plasticity modelling on single crystal and polycrystal of a ferritic steel sheet

Materials Science & Technology 2012 Pittsburgh, USA

Effect of strain gradient in deformation behaviour of multiphase steels

MSE 2012, Darmstadt, Germany

Continuum simulation of the dislocation density evolution during nanoindentation

MSE 2012, Darmstadt, Germany

Micromechanical based constitutive modelling of transformation induced plasticity

MSE 2012, Darmstadt, Germany

Plastic-strain gradient induced internal stress and geometrically necessary dislocation density in grain-boundary regions

MSE 2012, Darmstadt, Germany

Discrete disclination dynamics: hierarchical twin-boundary motion in magnetic shape-memory alloys

MSE 2012, Darmstadt, Germany

Application of crystal plasticity to cyclic loading and comparison to conventional plasticity

MSE 2012, Darmstadt, Germany

Atomistic study of the influence of lattice defects on thermal conductivity

MSE 2012, Darmstadt, Germany

Nanoscale simulation in fcc and bcc-crystals using cluster-based quasi continuum method

MSE 2012, Darmstadt, Germany

Generation of statistically-based RVE for dual-phase microstructure using multiplicative weighted Voronoi tessellation and the application to crystal plasticity

International workshop on computational mechanics of materials IWCMM XXII

Assessment of mechanical properties by inverse analysis of (nano-) indentations

2012 International Hydrogen Conference, Jackson Lake Lodge, USA

Constitutive model developing for bcc-iron based on atomistic analysis

Dislocations 2012, Budapest, Hungary

Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system

ICSMA 16, Bangalore, India

Analysis of diffusion paths and effective diffusion coefficients in multiphase materials

MSE 2012, Darmstadt, Germany

Study of cluster based energy sampling quasi continuum method and its application to nano-indentation

Junior Euromat 2012, Lausanne, Switzerland

In-situ micro shear experiments on fcc metals in the scanning-electron microscope

Junior-Euromat 2012, Lausanne, Switzerland

Plastic-strain gradient induced internal stress and geometrically necessary dislocation density in grain boundary regions

8^th European Solid Mechanics Conference ESMC 2012 Graz, Austria

A novel method to obtain yield strength and work hardening rate from nanoindentation

1st World Congress on Advanced Materials, Beijing, China

Micro-shear experiments on fcc metals

Agilent 2012 Nanoindentation Users' Meeting, Fürth, Germany

Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system

DPG spring meeting, Berlin, Germany

C at Σ5 symmetrical tilt grain boundary in Mo - from ab-initio results to traction-separation law

DPG Spring Meeting 2012, Berlin, Germany

Ab-initio study of the mechanical shear behavior of Al with and without normal stress

DPG Spring Meeting 2012, Berlin, Germany

Plastische Verformung durch Phasentransformation: konstitutive Beschreibung von TRIP Stählen

DGM AG Mikrostruktur, Siegen, Germany

Mechanisms of crazing in glassy polymers revealed by molecular dynamics simulations

IAS Winter School – Hierarchical Methods for Dynamics in Complex Molecular Systems, Juelich, Germany

Microstructural influence on growth of short cyclic cracks in structural steels

44. Tagung des DVM-Arbeitskreises Bruchvorgänge, Darmstadt, Germany

The role of coherency strain on the structural stability of a metastable precipitate in Mo-C binary system

1^st Austrain German workshop on computational materials design, Kramsach, Austria

Influence of C on the mechanical properties of a Σ5 STGB in Mo: ab-initio study

1^st Austrian-German workshop on Computational Materials Design, Kramsach, Austria

Micro-shear deformation of fcc crystals

International Symposium on Plasticity, San Juan, USA

Mechanische Eigenschaften mehrphasiger Werkstoffe

DGM-Fortbildung "Modellierung und Simulation", ICAMS, Ruhr-Universität Bochum, Bochum, Germany

Direct evaluation of dislocation networks and dislocation density tensors from atomistic data

ECI Conference on Nanomechanical Testing 2011, Lanzarote, Spain

Micro-shear deformation of fcc crystals

ECI Conference on Nanomechanical Testing 2011, Lanzarote, Spain

Combined molecular dynamics and dislocation dynamics simulation: a study of dislocation nucleation at crack tips

DGM AG Mikrostruktur, Braunschweig

Combined molecular dynamics and dislocation dynamics simulation: a study of dislocation nucleation at crack tips

EUROMAT-2011, Montpellier, France

Ab-initio investigation of the influence of carbon on the mechanical properties of the sigma-5 symmetrical tilt grain boundary in molybdenum

EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France

Localization during failure of glassy polymers

EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France

The role of interface energy in the evolution of a metastable phase in the molybdenum-carbon binary system

EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France

Ab-initio study of the shear properties of aluminium with different methods

EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France

Ab-initio study of the γ-surfaces of aluminium bulk and grain boundaries

ψ-k/CECAM/ccp9 graduate school, Oxford, UK

Direct calculation of dislocation density tensors from atomistic data

ICMAT 2011, Singapore

Alloying with light elements

Materials Design in Chemical Compound Space Workshop, IPAM, Institute for Pure and Applied Mathematics, UCLA, Los Angeles, USA

Multiscale modeling of deformation of ultra-fine grained metals at high homologous temperatures

Materials Research Society (MRS) Fall Meeting 2010, Boston, USA

Transformation induced plasticity modelling based on micromechanical approaches

ICAMS Advanced Discussion on Current Developments, Bochum, Germany

Large-scale atomistic simulation of nanoindentation: direct calculation of dislocation density tensors from atomistic data

18^th European Conference on Fracture (ECF18), Dresden, Germany

The solubility of carbon in bcc iron under volumetric strain: comparison of DFT and empirical methods

468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany

Influence of light elements on the mechanical properties of interfaces in transition metals

468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany

The solubility of carbon in bcc iron under volumetric strain: comparison of DFT and empirical methods

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

Multiscale modeling of polycrystal deformation with grain boundary sliding

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

Transformation induced plasticity modelling based on micromechanical approaches

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

Modeling the transition from toughening to embrittlement by grain boundaries in tungsten

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

The introduction of a concurrent multiscale model for fcc metals

Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany

Mesoscale and atomistic modeling and simulation of grain growth on the nanoscale

Optimising Performance Through Integrated Modelling of Microstructure (OPTIMoM), Queens College Cambridge, UK

A micromechanical damage simulation of dual phase steels using XFEM and cohesive elements

The 20^th International Workshop on Computational Mechanics of Materials 2010, Loughborough, United Kingdom, September 8-10, 2010

Transition from toughening to embrittlement by grain boundaries in tungsten

18^th European Conference of Fracture (ECF), Dresden, Germany

The introduction of a concurrent multiscale model for fcc metals

18^th European Conference of Fracture (ECF), Dresden, Germany

Polycrystalline material deformation modeling with grain boundary sliding and damage accumulation

18^th European Conference of Fracture (ECF), Dresden, Germany

Fracture and brittle-to-ductile transition in tungsten single and polycrystals

Materials Science and Engineering Conference (MSE) 2010, Darmstadt, Germany

Grain growth mechanism in nanocrystalline materials: multi-phase field and molecular dynamics studies

Materials Science and Engineering Conference (MSE) 2010, Darmstadt, Germany

Analyzing dislocation nucleation and multiplication in atomistic nanoindentation simulations

Newcastle Nanoindentation Conference 2, Newcastle, UK

Bestimmung des Versetzungsdichtetensor in atomistischen Simulationen

Fachausschuss Computersimulation, RWTH Aachen, Aachen, Germany

Superalloy single crystal creep modelling in a wide temperature range

Euro Superalloy 2010, Wildbad Kreuth, Germany

Ab-initio characterisation of the mechanical behavior of grain boundaries

DPG Spring Meeting 2010, Regensburg, Germany

On-the-fly analysis of large-scale molecular dynamics simulations: calculating lattice rotation and dislocation density tensors from atomistic data

Fall Meeting of the Materials Research Society (MRS), Boston, USA

Deformation mechanisms and fracture characteristics of γ-TiAl alloys

7. Materialwissenschaftlicher Tag 2009, Bochum, Germany

Determination of dislocation density from atomistic data

ECI Conference on Nanomechanical Testing 2009, Barga, Italy

Cohesive element model for simulation of crack growth in composite materials

International Conference on Crack Paths, Vincenza, Italy

Cohesive laws for grain boundaries from ab initio calculations

Euromat 2009, Glasgow, UK

Ab-initio investigation of the mechanical properties of grain boundaries in aluminum

Euromat 2009, Glasgow, UK

Dislocation dynamics study of plasticity and strain-rate sensitivity in ultra-fine grained metals

International Conference on the Strength of Materials, Dresden, Germany

Deformation pattern of a Ni-base single-crystalline superalloy in Vickers indentation: crystal plasticity simulation versus experiment

International Conference on the Strength of Materials, Dresden, Germany

Modeling toughening and embrittling due to grain boundaries by dislocation dynamics

International Conference on the Strength of Materials, Dresden, Germany

Determination of Burgers vectors from atomistic data

International Conference on the Strength of Materials, Dresden, Germany

Modeling the influence of grain boundaries on fracture toughness by using a combined dislocation - cohesive zone model

International Conference on Fracture, Ottawa, Canada

Elastic and plastic properties of special grain boundaries in aluminium

DPG Spring Meeting 2009, Dresden, Germany

Onset of plasticity under nanoindentation: influence of the interatomic potential

International Conference on Multiscale Materials Modelling, Tallahassee, Florida, USA

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Professional Experience

Since 2008
Professor for Mechanics of Materials at Ruhr-Universität Bochum and director at ICAMS, Germany

2005-2008
Professor for Materials Science at Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany

2002-2005
Group leader at Max-Planck-Institut für Metallforschung, Stuttgart, Germany

1999-2002
Research engineering at Hilti Corp., Liechtenstein

1996-1999
Research assistant at Max-Planck-Institut für Metallforschung, Stuttgart, Germany

Education

Doctorate (Dr. rer. nat.) at Universität Stuttgart, Germany

Diploma course in physics (M.Sc. equivalent) at Universität Kaiserslautern, Germany

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ICAMS - Interdisciplinary centre for advanced materials simulation

ICAMS Members

Prof. Dr. Alexander Hartmaier

Research Interests:

Professional Experience

Education