Just another WordPress site - Ruhr-Universität Bochum
2026
- S. M. Fathabad, E. D. Politova, A. Grünebohm et al. Aging and enhanced electrocaloric effect in (Na0.5Bi0.5)TiO3-BaTiO3 ceramics. Journal of the European Ceramic Society, 46, 118400, (2026)
- S. Hamdani, S. Abdeslam, R. Janisch et al. Atomistic insights into tension–compression asymmetry of a V/Fe bilayer (with a semi-coherent interface). Computational Condensed Matter, 47, e01310, (2026)
- F. Körmann, Y. Ikeda, K. Glazyrin et al. Hydrogen uptake and hydride formation in AlxCoCrFeNi high-entropy alloys: First-principles, universal-potential, and experimental study. Acta Materialia, 313, 122300, (2026)
- E. Ibrahim, Y. Lysogorskiy, R. Drautz et al. Water phase diagram from a general-purpose atomic cluster expansion potential. Journal of Chemical Theory and Computation, 22, 4758, (2026)
- M. Forti, A. Malakhova, Y. Lysogorskiy et al. Data-efficient machine-learning of complex Fe–Mo intermetallics using domain knowledge of chemistry and crystallography. npj Computational Materials, 12, 161, (2026)
- H. Li, L. Lin, X. Guo et al. Electronic structure engineering in MXene SACs: unveiling the role of mixed termination for ORR/OER bifunctionality. Small, 22, e14330, (2026)
- H. Wijekoon, P. Hirel, A. Grünebohm. Ferroelectric switching at edge dislocations in BaTiO3 modeled at the atomic scale. Physical Review B, 113, 144108, (2026)
- M. Younan, R. Schiedung, O. Shchyglo et al. High-temperature kinetics of anisotropic abnormal grain growth in single-phase polycrystalline ceramic fibers: Phase-field modeling and experiments. Computational Materials Science, 268, 114655, (2026)
- P. Kumar, F. Körmann, K. Edalati et al. Hydrogen diffusion in TiCr2H Laves phases: A combined ab initio and machine-learning-potential study. Acta Materialia, 308, 122048, (2026)
- H. Lv, F. Guo, J. Li et al. Reverse reaction pathways for efficient CO2–to–formic acid conversion at Cu2O–Bi2O3 interfaces in ionic liquids. ACS Catalysis, 16, 7633–7645, (2026)
- Z. Pei, Y. Gong, P. Singh et al. Can chemical short-range order be transformed into a practical alloy-engineering tool?. Current Opinion in Solid State and Materials Science, 41, 101254, (2026)
- M. Younan, D. Bürger, G. Eggeler et al. Rafting of Ni-based superalloys under multiaxial load as understood by phase-field simulations and critical experiments. Advanced Engineering Materials, 28, e202503030, (2026)
- K. Glazyrin, K. Spektor, M. Bykov et al. Synthesis of high-entropy hydride from the cantor alloy (fcc–CoCrFeNiMn) at extreme conditions. Nature Communications, 17, 2622, (2026)
- A. Loew, J. Schmidt, S. Botti et al. Universal machine learning potentials under pressure. Journal of Physics: Materials, 9, 015010, (2026)
- Y. Guan, Z. Zhang, M. Tang et al. Fracture mode and toughening mechanism induced by microstructure in binderless WC cemented carbides: A phase-field simulation integrating energy dissipation analysis. Acta Materialia, 305, 121834, (2026)
- Y. Lysogorskiy, A. Bochkarev, R. Drautz. Graph atomic cluster expansion for foundational machine learning interatomic potentials. npj Computational Materials, 12, 114, (2026)
- F. Körmann, A. Forslund, Y. Ikeda et al. Impact of thermal excitations on the stabilization of the disordered VCoNi alloy. Physical Review Materials, 10, 023604, (2026)
- A. Mondal, O. Neufeld, T. Balčiūnas et al. Multi-plateau high-harmonic generation in liquids driven by off-site recombination. Nature Photonics, 20, 216–224, (2026)
- D. Shin, F. Pavošević, N. Tancogne-Dejean et al. Origin of the insulating phase and metal-insulator transition in the organic molecular solid κ-(BEDT-TTF)2Cu2(CN)3. npj Computational Materials, 12, 93, (2026)
- X. Chen, T. Lettau, U. Peschel et al. Real-time simulations of laser-induced electron excitations in crystalline ZnO. Physical Review B, 113, 085208, (2026)
- A. Kunzmann, O. Kharsah, S. Kunzmann et al. Synthesis and characterization of WO3 single crystals by physical vapor transport method. Journal of Crystal Growth, 677, 128475, (2026)
- R. Shoghi, A. Hartmaier. A machine learning-based constitutive model incorporating history-dependent features for cyclic plasticity. Computer Methods in Applied Mechanics and Engineering, 448, 118524, (2026)
- S. Starikov, P. Grigorev, S.-H. Lee et al. Angular-dependent interatomic potential for large-scale simulation of bcc and hcp multi-component refractory alloys. Computational Materials Science, 262, 114369, (2026)
- M. Stricker, L. Banko, N. Sarazin et al. Computationally accelerated experimental materials characterization—drawing inspiration from high-throughput simulation workflows. npj Computational Materials, 12, 2, (2026)
- L. Zhang, M. Stricker. Iterative corpus refinement for materials property prediction based on scientific texts. Machine Learning and Knowledge Discovery in Databases. Applied Data Science Track, 1, 89-103, (2026)
- A. Peng, C. Cai, M. Guo et al. LAMBench: a benchmark for large atomistic models. npj Computational Materials, 12, 62, (2026)
- X. Wu, Z. Sun, W. Guo et al. Microstructural origin of the simultaneous enhancements in strength and ductility of a nitrogen-doped high-entropy alloy. Acta Materialia, 304, 121753, (2026)