@article{e.j.mceniry20181, author = {E. J. McEniry and T. Hickel and J. Neugebauer}, title = {Ab initio simulation of hydrogeninduced decohesion in cementitecontaining microstructures}, journal = {Acta Materialia}, volume = {150}, OPTnumber = {}, OPTmonth = {01}, year = {2018}, OPTpages = {5358}, OPTnote = {}, OPTkey = {hydrogen embrittlement; ab initio simulation; carbon steels}, DOI = {10.1016/j.actamat.2018.03.005} }