In this study, ab-initio density functional methods are used to examine the effects of nickel, copper, and chromium substitutions on unstable and intrinsic stacking fault energies in FCC iron. The aim of this study was to determine if these alloy additions favor the formation and stability of e-martensite. Nickel and copper additions are shown to increase intrinsic stacking fault energy whereas chromium is shown to have a parabolic relationship. Effects on the unstable stacking fault energy are also examined indicating chromium decreases the unstable stacking fault energy whereas Ni and Cu have a complex effect and are dependent upon proximity to the stacking fault
The stacking-fault probability parameter, α, in Cu-Ni and Cu-Mn alloys has been examined by an x-ray...
International audienceBy using first principles calculations, the effects of carbon distribution and...
This Master’s thesis is focused on theoretical study of the high entropy alloy CoCrNi using ab initi...
The effect of 3d and 4d transition metal (TM) additions on the intrinsic stacking fault energy (SFE)...
Using ab initio simulation of manganese, aluminum and carbon impurities in fcc Fe, we demonstrated t...
Interstitial alloying has become an important pillar in tuning and improving the materials propertie...
Using first-principles calculations, the effects of selected alloying elements (e.g., Cr, Ti, Mn, Co...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do...
The bonding of C to Fe and Ni in Fe50Ni50(L1 0) alloy with a stacking fault (SF) is analyzed using d...
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (...
Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate th...
The stacking fault energy (SFE) of austenitic stainless steels has been determined using a quantum m...
We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the fac...
Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate th...
Stacking fault energy (SFE) plays an important role in deformation mechanisms and mechanical propert...
The stacking-fault probability parameter, α, in Cu-Ni and Cu-Mn alloys has been examined by an x-ray...
International audienceBy using first principles calculations, the effects of carbon distribution and...
This Master’s thesis is focused on theoretical study of the high entropy alloy CoCrNi using ab initi...
The effect of 3d and 4d transition metal (TM) additions on the intrinsic stacking fault energy (SFE)...
Using ab initio simulation of manganese, aluminum and carbon impurities in fcc Fe, we demonstrated t...
Interstitial alloying has become an important pillar in tuning and improving the materials propertie...
Using first-principles calculations, the effects of selected alloying elements (e.g., Cr, Ti, Mn, Co...
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do...
The bonding of C to Fe and Ni in Fe50Ni50(L1 0) alloy with a stacking fault (SF) is analyzed using d...
The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (...
Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate th...
The stacking fault energy (SFE) of austenitic stainless steels has been determined using a quantum m...
We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the fac...
Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate th...
Stacking fault energy (SFE) plays an important role in deformation mechanisms and mechanical propert...
The stacking-fault probability parameter, α, in Cu-Ni and Cu-Mn alloys has been examined by an x-ray...
International audienceBy using first principles calculations, the effects of carbon distribution and...
This Master’s thesis is focused on theoretical study of the high entropy alloy CoCrNi using ab initi...