All Stories

  1. Dissimilar thermal transport properties in κ-Ga2O3 and β-Ga2O3 revealed by homogeneous nonequilibrium molecular dynamics simulations using machine-learned potentials

    Article • Journal of Applied Physics, February 2024, American Institute of Physics

    Penghua Ying

  2. The thermoelastic properties of monolayer covalent organic frameworks studied by machine-learning molecular dynamics

    Article • Nanoscale, January 2024, Royal Society of Chemistry

    Penghua Ying

  3. Combining the D3 dispersion correction with the neuroevolution machine-learned potential

    Article • Journal of Physics Condensed Matter, December 2023, Institute of Physics Publishing

    Penghua Ying

  4. Mechanisms of temperature-dependent thermal transport in amorphous silica from machine-learning molecular dynamics

    Article • November 2023, American Physical Society (APS)

    Penghua Ying

  5. Sub-Micrometer Phonon Mean Free Paths in Metal–Organic Frameworks Revealed by Machine Learning Molecular Dynamics Simulations

    Article • ACS Applied Materials & Interfaces, July 2023, American Chemical Society (ACS)

    Penghua Ying

  6. Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene

    Article • International Journal of Heat and Mass Transfer, June 2023, Elsevier

    Penghua Ying

  7. Accurate prediction of heat conductivity of water by a neuroevolution potential

    Article • The Journal of Chemical Physics, May 2023, American Institute of Physics

    Penghua Ying

  8. Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential

    Article • International Journal of Heat and Mass Transfer, March 2023, Elsevier

    Tapio Ala-Nissila, Penghua Ying

  9. Dual effects of hetero-interfaces on phonon thermal transport across graphene/C3N lateral superlattices

    Article • International Journal of Heat and Mass Transfer, February 2023, Elsevier

    Penghua Ying

  10. Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations

    Article • Extreme Mechanics Letters, January 2023, Elsevier

    Penghua Ying

  11. Modeling of load responses and aging of high strength fibers considering UV-radiation

    Article • Composites Science and Technology, January 2023, Elsevier

    Penghua Ying

  12. Mechanical and thermal properties of graphyne-coated carbon nanotubes: a molecular dynamics simulation on one-dimensional all-carbon van der Waals heterostructures

    Article • Physical Chemistry Chemical Physics, January 2023, Royal Society of Chemistry

    Penghua Ying

  13. GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

    Article • The Journal of Chemical Physics, September 2022, American Institute of Physics

    Tapio Ala-Nissila, Penghua Ying

  14. Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations

    Article • September 2022, American Chemical Society (ACS)

    Penghua Ying

  15. Anisotropic mechanical properties of monolayer fullerene network: An interplay between two types of interfullerene bonds

    Article • July 2022, American Chemical Society (ACS)

    Penghua Ying

  16. Tension-Induced Phase Transformation and Anomalous Poisson Effect in Violet Phosphorene

    Article • March 2022, American Chemical Society (ACS)

    Penghua Ying

  17. Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network,...

    Article • International Journal of Heat and Mass Transfer, February 2022, Elsevier

    Penghua Ying

  18. Delamination of MoS2/SiO2 interfaces under nanoindentation

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Penghua Ying

  19. Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

    Article • October 2021, Cambridge University Press

    Penghua Ying

  20. Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

    Article • October 2021, American Chemical Society (ACS)

    Penghua Ying

  21. Prediction and optimization of the thermal transport in hybrid carbon-boron nitride honeycombs using machine learning

    Article • Carbon, October 2021, Elsevier

    Penghua Ying

  22. Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

    Article • July 2021, American Chemical Society (ACS)

    Penghua Ying

  23. Thermal transport in planar sp2-hybridized carbon allotropes: A comparative study of biphenylene network, pentaheptite and graphene

    Article • July 2021, Cambridge University Press

    Penghua Ying

  24. Effect of Phase Transition on the Thermal Transport in Isoreticular DUT Materials

    Article • June 2021, American Chemical Society (ACS)

    Penghua Ying

  25. Effect of Phase Transition on the Thermal Transport in Isoreticular DUT Materials

    Article • June 2021, American Chemical Society (ACS)

    Penghua Ying

  26. Abnormal Effect of Phase Transition on Thermal Transport in Soft Porous Crystals

    Article • March 2021, American Chemical Society (ACS)

    Penghua Ying

  27. Abnormal Effect of Phase Transition on Thermal Transport in Soft Porous Crystals

    Article • March 2021, American Chemical Society (ACS)

    Penghua Ying

  28. Effects of cell defects on the mechanical and thermal properties of carbon honeycombs

    Article • Computational Materials Science, February 2021, Elsevier

    Penghua Ying

  29. Pressure-induced phase transition of isoreticular MOFs: Mechanical instability due to ligand buckling

    Article • Microporous and Mesoporous Materials, January 2021, Elsevier

    Penghua Ying

  30. Thermal Transport in One-Dimensional Van Der Waals Heterostructures: Effects of Coating Layers on the Thermal Conductivity of Carbon Nanotubes

    Article • October 2020, American Chemical Society (ACS)

    Penghua Ying

  31. Mechanical behaviors of MoS nanowires under tension from molecular dynamics simulations

    Article • Computational Materials Science, June 2020, Elsevier

    Penghua Ying

  32. Impacts of Functional Group Substitution and Pressure on the Thermal Conductivity of ZIF-8

    Article • The Journal of Physical Chemistry C, February 2020, American Chemical Society (ACS)

    Penghua Ying

  33. Effects of interlayer interactions on the nanoindentation response of freely suspended multilayer gallium telluride

    Article • Nanotechnology, January 2020, Institute of Physics Publishing

    Penghua Ying

  34. Mechanical properties of monolayer ternary transitional metal dichalogenides MoS2xTe2(1 − x): A molecular dynamics study

    Article • Journal of Applied Physics, December 2019, American Institute of Physics

    Penghua Ying

  35. Study on collapse controlling of single-wall carbon nanotubes by helium storage

    Article • Computational Materials Science, June 2019, Elsevier

    Penghua Ying