All Stories

  1. Ni’s robust effect on the formation and structure of Earth's inner core
  2. Two-step nucleation of the Earth’s inner core
  3. Microstructure evolution during near- Tg annealing and its effect on shear banding in model alloys
  4. Development of a semi-empirical potential suitable for molecular dynamics simulation of vitrification in Cu-Zr alloys
  5. Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning framework
  6. Development of a deep machine learning interatomic potential for metalloid-containing Pd-Si compounds
  7. Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system
  8. From NaZn4Sb3 to HT-Na1–xZn4–ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties
  9. Predicting Complex Relaxation Processes in Metallic Glass
  10. Observation of η-Al41Sm5 reveals motif-aware structural evolution in Al-Sm alloys
  11. Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory
  12. Effects of dopants on the glass forming ability in Al-based metallic alloy
  13. Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation
  14. Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses
  15. Effect of samarium doping on the nucleation of fcc-aluminum in undercooled liquids
  16. A self-contained algorithm for determination of solid-liquid equilibria in an alloy system
  17. Molecular dynamics simulation of the solid-liquid interface migration in terbium
  18. Spatially-correlated Site Occupancy in the Nonstoichiometric Meta-stable ε-Al 60 Sm 11 Phase during Devitrification of Al-10.2 at.% Sm Glasses
  19. A comparative study of Sm networks in Al-10 at.%Sm glass and associated crystalline phases
  20. Structural and chemical orders in Ni64.5Zr35.5 metallic glass by molecular dynamics simulation
  21. Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach
  22. Nucleation of stoichiometric compounds from liquid: Role of the kinetic factor
  23. Cooling rate dependence of structural order in Ni62Nb38 metallic glass
  24. Structural connection between gallium crystals and near- T m liquids under ambient pressure
  25. Calculation of critical nucleation rates by the persistent embryo method: application to quasi hard sphere models
  26. Investigation of partitionless growth of ε-Al60Sm11 phase in Al-10 at% Sm liquid
  27. Growth and characterization of BaZnGa
  28. Structural hierarchy as a key to complex phase selection in Al-Sm
  29. Exploring new phases of Fe3−x Co x C for rare-earth-free magnets
  30. A scheme for the generation of Fe–P networks to search for low-energy LiFePO4 crystal structures
  31. Crystal genes in a marginal glass-forming system of Ni50Zr50
  32. Si-centered capped trigonal prism ordering in liquid Pd82Si18 alloy study by first-principles calculations
  33. Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study
  34. Calculations of Energy-Loss Function for 26 Materials
  35. Cooling rate dependence of structural order in Al90Sm10 metallic glass
  36. Crystalline motifs serve as local ordering in the liquid and glasses
  37. Solute–solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: a molecular dynamics study
  38. Development of interatomic potentials appropriate for simulation of devitrification of Al 90 Sm 10 alloy
  39. Discovery of a metastable Al20Sm4 phase
  40. Local structure order in Pd78Cu6Si16 liquid
  41. Composition-dependent stability of the medium-range order responsible for metallic glass formation
  42. A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra
  43. Charging Effect in Plasma Etching Mask of Hole Array
  44. Systematic calculation of the surface excitation parameters for 22 materials
  45. A New Analytical Method in Surface Electron Spectroscopy: Reverse Monte Carlo Method