Publications
Journal Article (15)
1.
Journal Article
9 (6), 1642010 (2016)
Interface effects on the magnetic properties of layered Ni2MnGa/Ni2MnSn alloys: A first-principles investigation. Functional Materials Letters 2.
Journal Article
94 (13), 134106 (2016)
Scale bridging description of coherent phase equilibria in the presence of surfaces and interfaces. Physical Review B 3.
Journal Article
94 (10), 104109 (2016)
Interplay between interstitial displacement and displacive lattice transformations. Physical Review B 4.
Journal Article
28 (38), 385001 (2016)
The impact of carbon and oxygen in alpha-titanium: ab initio study of solution enthalpies and grain boundary segregation. Journal of Physics: Condensed Matter 5.
Journal Article
93 (21), 214115 (2016)
Impact of local magnetism on stacking fault energies: A first-principles investigation for fcc iron. Physical Review B 6.
Journal Article
93 (22), 224411 (2016)
Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics. Physical Review B 7.
Journal Article
93 (18), 184108 (2016)
First-principles investigation of hydrogen interaction with TiC precipitates in alpha-Fe. Physical Review B 8.
Journal Article
20 (2), pp. 77 - 84 (2016)
Influence of magnetic excitations on the phase stability of metals and steels. Current Opinion in Solid State and Materials Science 9.
Journal Article
37 (2), pp. 119 - 126 (2016)
Quaternary Al–Cu–Mg–Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations. Journal of Phase Equilibria 10.
Journal Article
41 (4), pp. 320 - 325 (2016)
Ab initio-guided design of twinning-induced plasticity steels. MRS Bulletin 11.
Journal Article
106, pp. 229 - 238 (2016)
Combined atom probe tomography and density functional theory investigation of the Al off-stoichiometry of κ-carbides in an austenitic Fe–Mn–Al–C low density steel. Acta Materialia 12.
Journal Article
28 (7), 076002 (2016)
Impact of magnetic fluctuations on lattice excitations in fcc nickel. Journal of Physics: Condensed Matter 13.
Journal Article
116 (2), 025503 (2016)
Ab initio Prediction of Martensitic and Intermartensitic Phase Boundaries in Ni–Mn–Ga. Physical Review Letters 14.
Journal Article
2016, 4287186 (2016)
Effects of Aluminum on Hydrogen Solubility and Diffusion in Deformed Fe–Mn Alloys. Advances in Materials Science and Engineering 15.
Journal Article
102, pp. 241 - 250 (2016)
Partitioning of Cr and Si between cementite and ferrite derived from first-principles thermodynamics. Acta Materialia Talk (20)
16.
Talk
Parameter-free Computational Design of Magnetic Materials – Recent Advances in Ab Initio Techniques of Coupled Lattice and Spin Fluctuations. MRS Fall Meeting 2016, Boston, MA, USA (2016)
17.
Talk
Ab-Initio Guided Design of Twinning Induced Plasticity and Weight Reduced Austenitic Steels. MRS Fall Meeting, Boston, MA, USA (2016)
18.
Talk
New Insights into H trapping and Diffusion in Metallic Microstructures Obtained from Atomistic Simulations. 2016 International Hydrogen Conference, Jackson Lake Lodge, Moran, WY, USA (2016)
19.
Talk
Intermartensitic Phase Boundaries in Ni–Mn–Ga Alloys: A Viewpoint from Ab initio Thermodynamics. 5th International Conference on Ferromagnetic Shape Memory Alloys, Sendai, Japan (2016)
20.
Talk
Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: a combined ab-initio, phonon and compound energy formalism approach. Materials Science and Engineering 2016 (MSE), Darmstadt, Germany (2016)