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“A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases”, Philosophical Magazine Letters, vol. 98, pp. 27-37, 2018.
, “Cooling rate dependence of structural order in Ni62Nb38 metallic glass”, Journal of Applied Physics, vol. 123, p. 045108, 2018.
, “Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen”, Physical Review B, vol. 97, p. 075142, 2018.
, “Evolution of short- and medium-range order in the melt-quenching amorphization of Ge2Sb2Te5”, Journal of Materials Chemistry C, vol. 6, pp. 5001-5011, 2018.
, “Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials”, Physical Chemistry Chemical Physics, vol. 20, pp. 14557-14563, 2018.
, “Hydrogen adatom interaction on graphene: A first principles study”, Carbon, vol. 131, pp. 137-141, 2018.
, “Implementation of metal-friendly EAM/FS-type semi-empirical potentials in HOOMD-blue: AGPU-accelerated molecular dynamics software”, Journal of Computational Physics, vol. 359, pp. 352-360, 2018.
, “Influence of nitrogen dopants on the magnetization of Co3N clusters”, Physical Review Materials, vol. 2, p. 024401, 2018.
, “Investigation of partitionless growth of epsilon-Al60Sm11 phase in Al-10at% Sm liquid”, Modelling and Simulation in Materials Science and Engineering, vol. 26, p. 015006, 2018.
, “Local structure orders and glass forming ability of Ni-Nb liquids”, Intermetallics, vol. 98, pp. 131-138, 2018.
, “Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects”, Journal of Physics-Condensed Matter, vol. 30, p. 195801, 2018.
, “Molecular dynamics simulation of the solid-liquid interface migration in terbium”, Journal of Chemical Physics, vol. 148, p. 214705, 2018.
, “Multimode Jahn-Teller effect in bulk systems: A case of the NV0 center in diamond”, Physical Review B, vol. 97, p. 165204, 2018.
, “New structures of Fe3S for rare-earth-free permanent magnets”, Journal of Physics D-Applied Physics, vol. 51, p. 075001, 2018.
, “Nucleation of stoichiometric compounds from liquid: Role of the kinetic factor”, Physical Review Materials, vol. 2, p. 8, 2018.
, “Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach”, Physical Review Letters, vol. 120, p. 085703, 2018.
, “Prediction of novel stable Fe-V-Si ternary phase”, Journal of Alloys and Compounds, vol. 732, pp. 567-572, 2018.
, “A self-contained algorithm for determination of solid-liquid equilibria in an alloy system”, Computational Materials Science, vol. 150, pp. 353-357, 2018.
, “Stability of the 1144 phase in iron pnictides”, Physical Review B, vol. 97, p. 094105, 2018.
, “Structural and chemical orders in Ni64.5Zr35.5 metallic glass by molecular dynamics simulation”, Physical Review Materials, vol. 2, p. 033601, 2018.
, “Structural connection between gallium crystals and near-T-m liquids under ambient pressure”, Scripta Materialia, vol. 143, pp. 86-89, 2018.
, “Structural signature and transition dynamics of Sb2Te3 melt upon fast cooling”, Physical Chemistry Chemical Physics, vol. 20, pp. 11768-11775, 2018.
, “Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials”, Journal of Physical Chemistry C, vol. 122, pp. 5057-5063, 2018.
, “Using first-principles calculations to screen for fragile magnetism: Case study of LaCrGe3 and LaCrSb3”, Physical Review B, vol. 97, p. 184401, 2018.
, “Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets”, Physical Review Applied, vol. 8, p. 054016, 2017.
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