All Stories

  1. Shear-activated phase transformations of diborides via machine-learning potential molecular dynamics

    Article • Acta Materialia, December 2025, Elsevier

    davide sangiovanni

  2. Machine-learning potentials predict orientation- and mode-dependent fracture in refractory diborides

    Article • Acta Materialia, September 2025, Elsevier

    davide sangiovanni

  3. Controlled polymorphic competition – A path to tough and hard ceramics

    Article • Acta Materialia, August 2025, Elsevier

    davide sangiovanni

  4. Machine-learning potentials for structurally and chemically complex MAB phases: Strain hardening and ripplocation-mediated plasticity

    Article • Materials & Design, August 2025, Elsevier

    davide sangiovanni

  5. Synthesis of Ti 4 Au 3 C 3 and its derivative trilayer goldene through chemical exfoliation

    Article • Science Advances, March 2025, American Association for the Advancement of Science

    Associate Prof. Martin Magnuson, davide sangiovanni

  6. Metal-like ductility and high hardness in nitrogen-rich HfN thin films by point defect superstructuring

    Article • Communications Materials, March 2025, Springer Science + Business Media

    davide sangiovanni

  7. Author Correction: Synthesis of goldene comprising single-atom layer gold

    Article • Nature Synthesis, November 2024, Springer Science + Business Media

    Associate Prof. Martin Magnuson, davide sangiovanni

  8. Nanoengineering stronger and tougher solid/solid interfaces using molecular nanolayer (MNL) bridges

    Article • Applied Physics Letters, June 2024, American Institute of Physics

    davide sangiovanni, Ganpati Ramanath

  9. Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations

    Article • Materials & Design, May 2024, Elsevier

    davide sangiovanni

  10. Author Correction: Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics

    Article • npj Computational Materials, April 2024, Springer Science + Business Media

    davide sangiovanni

  11. Synthesis of goldene comprising single-atom layer gold

    Article • Nature Synthesis, April 2024, Springer Science + Business Media

    davide sangiovanni, Associate Prof. Martin Magnuson

  12. Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics

    Article • npj Computational Materials, April 2024, Springer Science + Business Media

    davide sangiovanni

  13. Diffusion and magnetization of metal adatoms on single-layer molybdenum disulfide at elevated temperatures

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, January 2024, American Vacuum Society

    davide sangiovanni

  14. Large mechanical properties enhancement in ceramics through vacancy-mediated unit cell disturbance

    Article • Nature Communications, December 2023, Springer Science + Business Media

    davide sangiovanni

  15. Descriptor for slip-induced crack blunting in refractory ceramics

    Article • Physical Review Materials, October 2023, American Physical Society (APS)

    davide sangiovanni

  16. Machine-learning potentials for nanoscale simulations of deformation and fracture: example of TiB2 ceramic

    Article • September 2023, Research Square

    davide sangiovanni

  17. Valence electron concentration as key parameter to control the fracture resistance of refractory high-entropy carbides

    Article • Science Advances, September 2023, American Association for the Advancement of Science

    davide sangiovanni

  18. Engineering inorganic interfaces using molecular nanolayers

    Article • Applied Physics Letters, June 2023, American Institute of Physics

    davide sangiovanni, Ganpati Ramanath

  19. High-resolution STEM investigation of the role of dislocations during decomposition of Ti1-xAlxNy

    Article • Scripta Materialia, May 2023, Elsevier

    davide sangiovanni

  20. Discovering atomistic pathways for supply of metal atoms from methyl-based precursors to graphene surface

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

    davide sangiovanni

  21. Correction: Discovering atomistic pathways for supply of metal atoms from methyl-based precursors to graphene surface

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

    davide sangiovanni

  22. Atomistic mechanisms underlying plasticity and crack growth in ceramics: a case study of AlN/TiN superlattices

    Article • Acta Materialia, May 2022, Elsevier

    davide sangiovanni

  23. Color and pseudogap tunability in multicomponent carbonitrides

    Article • Materials & Design, May 2022, Elsevier

    davide sangiovanni

  24. Predicting elastic properties of hard-coating alloys using ab-initio and machine learning methods

    Article • npj Computational Materials, January 2022, Springer Science + Business Media

    davide sangiovanni

  25. Enhancing plasticity in high-entropy refractory ceramics via tailoring valence electron concentration

    Article • Materials & Design, November 2021, Elsevier

    davide sangiovanni

  26. Temperature-dependent elastic properties of binary and multicomponent high-entropy refractory carbides

    Article • Materials & Design, June 2021, Elsevier

    davide sangiovanni

  27. MOCVD of AlN on epitaxial graphene at extreme temperatures

    Article • CrystEngComm, January 2021, Royal Society of Chemistry

    davide sangiovanni

  28. Room-temperature diffusion of metal clusters on graphene

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    davide sangiovanni

  29. Thermally induced structural evolution and age-hardening of polycrystalline V1–xMoxN (x ≈ 0.4) thin films

    Article • Surface and Coatings Technology, January 2021, Elsevier

    davide sangiovanni

  30. Anomalous versus Normal Room-Temperature Diffusion of Metal Adatoms on Graphene

    Article • The Journal of Physical Chemistry Letters, September 2020, American Chemical Society (ACS)

    davide sangiovanni

  31. Adaptive hard and tough mechanical response in single-crystal B1 VNx ceramics via control of anion vacancies

    Article • Acta Materialia, June 2020, Elsevier

    davide sangiovanni

  32. Strength, transformation toughening, and fracture dynamics of rocksalt-structure Ti

    Article • Physical Review Materials, March 2020, American Physical Society (APS)

    davide sangiovanni

  33. Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior

    Article • Physical Review Materials, January 2020, American Physical Society (APS)

    davide sangiovanni

  34. Nanoscale phenomena ruling deposition and intercalation of AlN at the graphene/SiC interface

    Article • Nanoscale, January 2020, Royal Society of Chemistry

    davide sangiovanni

  35. Mechanical properties of VMoNO as a function of oxygen concentration: Toward development of hard and tough refractory oxynitrides

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, October 2019, American Vacuum Society

    davide sangiovanni

  36. Adsorption-controlled growth and properties of epitaxial SnO films

    Article • Physical Review Materials, October 2019, American Physical Society (APS)

    davide sangiovanni

  37. A review of the intrinsic ductility and toughness of hard transition-metal nitride alloy thin films

    Article • Thin Solid Films, October 2019, Elsevier

    davide sangiovanni

  38. Mass transport properties of quasiharmonic vs. anharmonic transition-metal nitrides

    Article • Thin Solid Films, October 2019, Elsevier

    davide sangiovanni

  39. TiN film growth on misoriented TiN grains with simultaneous low-energy bombardment: Restructuring leading to epitaxy

    Article • Thin Solid Films, October 2019, Elsevier

    davide sangiovanni

  40. Superioniclike Diffusion in an Elemental Crystal: bcc Titanium

    Article • Physical Review Letters, September 2019, American Physical Society (APS)

    davide sangiovanni

  41. Atomic-scale diffusion rates during growth of thin metal films on weakly-interacting substrates

    Article • Scientific Reports, April 2019, Springer Science + Business Media

    davide sangiovanni

  42. First-principles characterization of reversible martensitic transformations

    Article • March 2019, American Physical Society (APS)

    davide sangiovanni

  43. Semi-Empirical Force-Field Model for the Ti1−xAlxN  (0 ≤ x ≤ 1) System

    Article • Materials, January 2019, MDPI AG

    davide sangiovanni

  44. Effect of dispersion corrections on ab initio predictions of graphite and diamond properties under pressure

    Article • November 2018, American Physical Society (APS)

    davide sangiovanni

  45. Copper adatom, admolecule transport, and island nucleation on TiN(0 0 1) via ab initio molecular dynamics

    Article • Applied Surface Science, August 2018, Elsevier

    davide sangiovanni

  46. Inherent toughness and fracture mechanisms of refractory transition-metal nitrides via density-functional molecular dynamics

    Article • Acta Materialia, June 2018, Elsevier

    davide sangiovanni

  47. Elastic properties and plastic deformation of TiC- and VC-based pseudobinary alloys

    Article • Acta Materialia, February 2018, Elsevier

    davide sangiovanni

  48. Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands

    Article • January 2018, American Physical Society (APS)

    davide sangiovanni

  49. Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    davide sangiovanni

  50. Phonon and electron contributions to the thermal conductivity of VNx...

    Article • Physical Review Materials, November 2017, American Physical Society (APS)

    davide sangiovanni

  51. Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN

    Article • September 2017, American Physical Society (APS)

    davide sangiovanni

  52. Experimental and computational studies on toughness enhancement in Ti-Al-Ta-N quaternaries

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, August 2017, American Vacuum Society

    davide sangiovanni

  53. Thermally induced age hardening in tough Ta-Al-N coatings via spinodal decomposition

    Article • Journal of Applied Physics, April 2017, American Institute of Physics

    davide sangiovanni

  54. Effects of incident N atom kinetic energy on TiN/TiN(001) film growth dynamics: A molecular dynamics investigation

    Article • Journal of Applied Physics, January 2017, American Institute of Physics

    davide sangiovanni

  55. Toughness enhancement in highly NbN-alloyed Ti-Al-N hard coatings

    Article • Acta Materialia, December 2016, Elsevier

    davide sangiovanni

  56. N and Ti adatom dynamics on stoichiometric polar TiN(111) surfaces

    Article • Surface Science, July 2016, Elsevier

    davide sangiovanni

  57. Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, June 2016, American Vacuum Society

    davide sangiovanni

  58. Ab Initio Molecular Dynamics Simulations of Nitrogen/VN(001) Surface Reactions: Vacancy-Catalyzed N2 Dissociative Chemisorption, N Adatom Migration, and N2 Desorption

    Article • The Journal of Physical Chemistry C, June 2016, American Chemical Society (ACS)

    davide sangiovanni

  59. Efficient and accurate determination of lattice-vacancy diffusion coefficients via non equilibriumab initiomolecular dynamics

    Article • March 2016, American Physical Society (APS)

    davide sangiovanni

  60. Effects of phase stability, lattice ordering, and electron density on plastic deformation in cubic TiWN pseudobinary transition-metal nitride alloys

    Article • Acta Materialia, January 2016, Elsevier

    davide sangiovanni

  61. Growth, nanostructure, and optical properties of epitaxial VNx/MgO(001) (0.80 ≤ x ≤ 1.00) layers deposited by reactive magnetron sputtering

    Article • Journal of Materials Chemistry C, January 2016, Royal Society of Chemistry

    davide sangiovanni

  62. The dynamics of TiNx (x = 1–3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands

    Article • Thin Solid Films, August 2015, Elsevier

    davide sangiovanni

  63. Dynamic and structural stability of cubic vanadium nitride

    Article • Physical Review B, February 2015, American Physical Society (APS)

    Dr Christian M Schlepuetz, davide sangiovanni

  64. Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation inB1TiN studied byab initioand clas...

    Article • Physical Review B, February 2015, American Physical Society (APS)

    davide sangiovanni

  65. Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys

    Article • Thin Solid Films, November 2014, Elsevier

    davide sangiovanni

  66. Ti adatom diffusion on TiN(001): Ab initio and classical molecular dynamics simulations

    Article • Surface Science, September 2014, Elsevier

    davide sangiovanni

  67. Vacancy-induced toughening in hard single-crystal V 0.5 Mo 0.5 N x /MgO(0 0 1) thin films

    Article • Acta Materialia, September 2014, Elsevier

    davide sangiovanni

  68. Ab initio and classical molecular dynamics simulations of N2 desorption from TiN(001) surfaces

    Article • Surface Science, June 2014, Elsevier

    davide sangiovanni

  69. Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands

    Article • Thin Solid Films, May 2014, Elsevier

    davide sangiovanni

  70. Effect of WN content on toughness enhancement in V1−xWxN/MgO(001) thin films

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, March 2014, American Vacuum Society

    davide sangiovanni

  71. Toughness enhancement in hard ceramic thin films by alloy design

    Article • APL Materials, October 2013, American Institute of Physics

    davide sangiovanni

  72. Dynamics of Ti, N, and TiNx(

    Article • Physical Review B, October 2012, American Physical Society (APS)

    davide sangiovanni

  73. Toughness enhancement in TiAlN-based quarternary alloys

    Article • Thin Solid Films, March 2012, Elsevier

    davide sangiovanni

  74. Structure and mechanical properties of TiAlN–WNx thin films

    Article • Surface and Coatings Technology, July 2011, Elsevier

    davide sangiovanni

  75. Supertoughening in B1 transition metal nitride alloys by increased valence electron concentration

    Article • Acta Materialia, March 2011, Elsevier

    davide sangiovanni

  76. Electronic mechanism for toughness enhancement inTixM

    Article • Physical Review B, March 2010, American Physical Society (APS)

    davide sangiovanni