Atomistic Simulations of Materials Chemistry: From Nanoelectronics to Energetics

By Alejandro Strachan

Materials Engineering, Purdue University, West Lafayette, IN

Published on

Abstract

Presentation slides with embedded videos are available for download. Please see the Support Docs tab.

Cite this work

Researchers should cite this work as follows:

  • Alejandro Strachan (2015), "Atomistic Simulations of Materials Chemistry: From Nanoelectronics to Energetics," https://nanohub.org/resources/22139.

    BibTex | EndNote

Time

Location

1099, Birck Nanotechnology Center, Purdue University, West Lafayette, IN

Tags

Atomistic Simulations of Materials Chemistry: From Nanoelectronics to Energetics
  • Atomistic simulations of materials chemistry: from nanoelectronics to energetics 1. Atomistic simulations of mater… 0
    00:00/00:00
  • Multiscale modeling of materials 2. Multiscale modeling of materia… 35.068401735068406
    00:00/00:00
  • Strachan group application areas 3. Strachan group application are… 145.311978645312
    00:00/00:00
  • NNSA PSAAP Center: PRISM 4. NNSA PSAAP Center: PRISM 182.44911578244913
    00:00/00:00
  • RF-MEMS and quantities of interest 5. RF-MEMS and quantities of inte… 343.47681014347683
    00:00/00:00
  • Physics & failure in RF-MEMS 6. Physics & failure in RF-MEMS 546.01267934601265
    00:00/00:00
  • Multi-physics, multiscale network 7. Multi-physics, multiscale netw… 707.14047380714055
    00:00/00:00
  • The physics of release voltage 8. The physics of release voltage 924.290957624291
    00:00/00:00
  • Dielectric charging 9. Dielectric charging 1198.3983983983985
    00:00/00:00
  • Multiscale modeling approach 10. Multiscale modeling approach 1334.2676009342677
    00:00/00:00
  • Atomic structures of the amorphous dielectrics 11. Atomic structures of the amorp… 1371.7717717717719
    00:00/00:00
  • Property distributions & model form uncertainty 12. Property distributions & model… 1458.1581581581581
    00:00/00:00
  • Point defect identification & characterization 13. Point defect identification & … 1740.8074741408075
    00:00/00:00
  • First principles predictions of defect energy levels 14. First principles predictions o… 1939.5061728395062
    00:00/00:00
  • Trap-level distribution in Si3N4 15. Trap-level distribution in Si3… 2041.4080747414082
    00:00/00:00
  • Trap-level distribution in Si3N4 16. Trap-level distribution in Si3… 2125.8258258258261
    00:00/00:00
  • Mesoscale contact mechanics model 17. Mesoscale contact mechanics mo… 2406.1061061061064
    00:00/00:00
  • Multi-physics, multiscale network 18. Multi-physics, multiscale netw… 2420.12012012012
    00:00/00:00
  • Multiscale, multiphysics w/ quantified uncertainties 19. Multiscale, multiphysics w/ qu… 2436.5031698365033
    00:00/00:00
  • Sensitivity analysis: from atomistic to device 20. Sensitivity analysis: from ato… 2550.0834167500834
    00:00/00:00
  • PRISM Uncertainty Quantification framework (PUQ) 21. PRISM Uncertainty Quantificati… 2681.6149482816149
    00:00/00:00
  • PUQ uncertainty propagation 22. PUQ uncertainty propagation 2706.84017350684
    00:00/00:00
  • Integration with nanoHUB 23. Integration with nanoHUB 2761.7283950617284
    00:00/00:00
  • Nanoelectronics: resistance switching 24. Nanoelectronics: resistance sw… 2857.023690357024
    00:00/00:00
  • MD simulations of eletrometallization 25. MD simulations of eletrometall… 3006.3063063063064
    00:00/00:00
  • Atomic processes of switching 26. Atomic processes of switching 3071.1711711711714
    00:00/00:00
  • Switching mechanism 27. Switching mechanism 3155.5221888555225
    00:00/00:00
  • Switching timescales & filament stability 28. Switching timescales & filamen… 3256.58992325659
    00:00/00:00
  • Fluctuations and miniaturization limit 29. Fluctuations and miniaturizati… 3280.5805805805808
    00:00/00:00
  • MD/DFT: electronic transport 30. MD/DFT: electronic transport 3300
    00:00/00:00
  • Engineering curvature in graphene 31. Engineering curvature in graph… 3338.3049716383052
    00:00/00:00
  • Strain engineering in Ge nanofins 32. Strain engineering in Ge nanof… 3340.8408408408409
    00:00/00:00
  • Predictive science of materials 33. Predictive science of material… 3342.676009342676
    00:00/00:00
  • Thanks 34. Thanks 3386.0860860860862
    00:00/00:00