Talk (1155)
1361.
Talk
Fully ab initio finite size corrections for charged defects in the supercell approach. APS march meeting, Portland, OR, USA (2010)
1362.
Talk
Fundamental Materials-Design Limits in Ultra Light-Weight Mg-Li Alloys Determined from Quantum-Mechanical Calculations. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1363.
Talk
Ab Initio Determination of Phase-Field Parameters Needed for Scale-Bridging Studies of Nucleation and Microstructure Formation in the Ti-Fe Eutectic System. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1364.
Talk
Ab Initio Study of Extreme Loading Conditions in Transition-Metal Disilicides with the C40 Structure. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1365.
Talk
Arthropod Cuticle: A Biological Multifunctional Composite Used As Template for Multidisciplinary Nano-To-Macro-Scale Hierarchical Modeling. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1366.
Talk
Computing Ab Initio Free Energy Contributions of Point Defects. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1367.
Talk
Towards a First-Principles Understanding of the Iron Phase Diagram. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1368.
Talk
Experimental Investigations of the Ti-Fe-Eutectic System Needed for the Further Understanding of the Microstructural Evolution in an Eutectic Alloy at Different Cooling Rates. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1369.
Talk
Multi-scale modeling of martensite formation in Fe-based solid solutions. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1370.
Talk
Embrittlement in metals: An atomistic study of the Hydrogen enhanced local plasticity (HELP) mechanism. 139th Annual Meeting of the Minerals, Metals and Materials Society (TMS), Seattle, WA, USA (2010)
1371.
Talk
Understanding hydrogen embrittlement of metals based on quantum mechanical simulation. Hydrogen Forum 2010, Fukuoka, Japan (2010)
1372.
Talk
First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1373.
Talk
Exploring the unusual diffusion of N adatoms at GaAs(001) surface. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1374.
Talk
Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1375.
Talk
Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1376.
Talk
PAW implementation in S/PHI/nX. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1377.
Talk
Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1378.
Talk
Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
1379.
Talk
Spin-polarization-induced structural selectivity in substituted Laves phases. Workshop, Imst, Austria (2010)
1380.
Talk
Ab-initio based growth simulations of III-Nitride nanowires. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)