Publications 1999 2017

  • 32 h-Index
  • 101 Article
  • 13 Conference contribution
  • 1 Chapter
2004
139 Citations

Adhesion and nonwetting-wetting transition in the Al/α-Al 2O3 interface

Zhang, Q., Çaǧin, T., Van Duin, A., Goddard, W. A., Qi, Y. & Hector, L. G. Jan 2004 In : Physical Review B - Condensed Matter and Materials Physics. 69, 4, p. 454231-4542311 4088081 p., 045423

Research output: Contribution to journalArticle

Butylene Glycols
Birth Certificates
Wetting
Liquids
wetting
2003
30 Citations

Hydrogen effect on adhesion and adhesive transfer at aluminum/diamond interfaces

Qi, Y. & Hector, L. G. Nov 2003 In : Physical Review B - Condensed Matter and Materials Physics. 68, 20, p. 2014031-2014034 4 p., 201403

Research output: Contribution to journalArticle

Diamonds
diamonds
Adhesion
adhesion
Aldicarb
2002
45 Citations

Friction anisotropy at Ni(100)/(100) interfaces: Molecular dynamics studies

Qi, Y., Cheng, Y. T., Çaǧin, T. & Goddard, W. A. Aug 15 2002 In : Physical Review B - Condensed Matter and Materials Physics. 66, 8, p. 854201-854207 7 p., 085420

Research output: Contribution to journalArticle

Friction
Edema Disease of Swine
friction
static friction
molecular dynamics
2001
1 Citations

First principles multiscale modeling of physico-chemical aspects of tribology

Goddard, W. A., Cagin, T., Qi, Y., Zhou, Y. & Che, J. 2001 In : Tribology Series. 39, p. 15-33 19 p.

Research output: Contribution to journalArticle

Quantum theory
Tribology
Plasticity
Molecular dynamics
Metals
19 Citations

Large scale atomistic simulations of screw dislocation structure, annihilation and cross-slip in FCC Ni

Qi, Y., Strachan, A., Cagin, T. & Goddard, W. A. Jul 15 2001 In : Materials Science and Engineering A. 309-310, p. 156-159 4 p.

Research output: Contribution to journalArticle

screw dislocations
slip
simulation
energy
Screw dislocations
289 Citations

Melting and crystallization in Ni nanoclusters: The mesoscale regime

Qi, Y., Çain, T., Johnson, W. L. & Goddard, W. A. Jul 1 2001 In : Journal of Chemical Physics. 115, 1, p. 385-394 10 p.

Research output: Contribution to journalArticle

melting
nickel
nanoclusters
crystallization
atoms

Molecular dynamics simulations of supercooled liquid metals and glasses

Lee, H. J., Qi, Y., Strachan, A., Cagin, T., Goddard, W. A. & Johnson, W. L. 2001 In : Materials Research Society Symposium - Proceedings. 644, p. L2.3.1-L2.3.6

Research output: Contribution to journalArticle

Birth Certificates
Liquids
glass
liquids
Glass
4 Citations

Molecular dynamics simulations of supercooled liquid metals and glasses

Lee, H. J., Qi, Y., Strachan, A., Cagin, T., Goddard, W. A. & Johnson, W. L. 2001 Materials Research Society Symposium - Proceedings. Inoue, A., Yavari, A. R., Johnson, W. & Dauskardt, R. (eds.). Vol. 644

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Birth Certificates
Liquids
Glass
Feline Sarcoma Viruses
Cutaneous Candidiasis
2 Citations

MPiSIM: Massively parallel simulation tool for metallic system

Qi, Y., Çain, T. & Goddard, W. A. 2001 In : Journal of Computer-Aided Materials Design. 8, 2-3, p. 185-192 8 p.

Research output: Contribution to journalArticle

Eye Hemorrhage
Decomposition
Association Learning
Fusobacterium
Nerve Crush
46 Citations

Viscosities of liquid metal alloys from nonequilibrium molecular dynamics

Qi, Y., Çain, T., Kimura, Y. & Goddard, W. A. 2001 In : Journal of Computer-Aided Materials Design. 8, 2-3, p. 233-243 11 p.

Research output: Contribution to journalArticle

Acetanilides
Artificial Heart
Viscosity
Temperature
Nerve Crush
1999
39 Citations

Calculation of mechanical, thermodynamic and transport properties of metallic glass formers

Cagm, T., Kimura, Y., Yue, Q., Li, H., Ikeda, H., Johnson, W. L. & Goddard, W. A. 1999 Materials Research Society Symposium - Proceedings. Materials Research Society, Vol. 554, p. 43-48 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Binary alloys
Glass
Mechanical properties
Carcinosarcoma
Abdominal Muscles
19 Citations

Computational materials chemistry at the nanoscale

Çaǧin, T., Che, J., Qi, Y., Zhou, Y., Demiralp, E., Gao, G. & Goddard, W. A. 1999 In : Journal of Nanoparticle Research. 1, 1, p. 51-69 19 p.

Research output: Contribution to journalArticle

nanowires
molecular dynamics
simulation
Traffic Accidents
Metals
3 Citations

Deformation behavior of FCC crystalline metallic nanowires under high strain rates

Qi, Y., Dceda, H., Cagin, T., Samwer, K., Johnson, W. L. & Goddard, W. A. 1999 Materials Research Society Symposium - Proceedings. Materials Research Society, Vol. 554, p. 367-372 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Carbamyl Phosphate
Nanowires
Levodopa
Strain rate
Carcinoid Tumor
193 Citations

Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-Ag and Cu-Ni

Qi, Y., Çaǧin, T., Kimura, Y. & Goddard, W. A. 1999 In : Physical Review B - Condensed Matter and Materials Physics. 59, 5, p. 3527-3533 7 p.

Research output: Contribution to journalArticle

glass
Glass
crystallization
molecular dynamics
crystals
229 Citations

Strain rate induced amorphization in metallic nanowires

Ikeda, H., Qi, Y., Çagin, T., Samwer, K., Johnson, W. L. & Goddard, W. A. Apr 5 1999 In : Physical Review Letters. 82, 14, p. 2900-2903 4 p.

Research output: Contribution to journalArticle

strain rate
amorphous materials
nanowires
radial distribution
elastic properties