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Found 11 results

Author Title Type [ Year

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Filters: Keyword is Molecular dynamics [Clear All Filters]

2001

Y. Qi, Strachan, A., Cagin, T., and Goddard, W. A., “Large scale atomistic simulations of screw dislocation structure, annihilation and cross-slip in FCC Ni”, Materials Science & Engineering A: Structural Materials: Properties, Microstructure and Processing, vol. 309-310, pp. 156–159, 2001.

Y. Qi, Çain, T., and Goddard, W. A., “MPiSIM: Massively parallel simulation tool for metallic system”, Journal of Computer-Aided Materials Design, vol. 8, pp. 185–192, 2001.

2006

D. K. Ward, Curtin, W. A., and Qi, Y., “Aluminum-silicon interfaces and nanocomposites: A molecular dynamics study”, Composites Science and Technology, vol. 66, pp. 1148–1158, 2006.

D. K. Ward, Curtin, W. A., and Qi, Y., “Mechanical behavior of aluminum-silicon nanocomposites: A molecular dynamics study”, Acta Materialia, vol. 54, pp. 4441–4451, 2006.

2007

Y. Qi and Krajewski, P. E., “Molecular dynamics simulations of grain boundary sliding: The effect of stress and boundary misorientation”, Acta Materialia, vol. 55, pp. 1555–1563, 2007.

2008

A. Noreyan, Qi, Y., and Stoilov, V., “Critical shear stresses at aluminum-silicon interfaces”, Acta Materialia, vol. 56, pp. 3461–3469, 2008.

2010

N. Du, Qi, Y., Krajewski, P. E., and Bower, A. F., “Aluminum R3 grain boundary sliding enhanced by vacancy diffusion”, Acta Materialia, vol. 58, pp. 4245–4252, 2010.

2011

P. Johari, Qi, Y., and Shenoy, V. B., “The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: An Ab initio molecular dynamics study”, Nano Letters, vol. 11, pp. 5494–5500, 2011.

2013

M. E. Stournara, Xiao, X., Qi, Y., Johari, P., Lu, P., Sheldon, B. W., Gao, H., and Shenoy, V. B., “Li segregation induces structure and strength changes at the amorphous Si/Cu interface”, Nano Letters, vol. 13, pp. 4759–4768, 2013.

2014

S. Yan, Xiao, X., Huang, X., Li, X., and Qi, Y., “Unveiling the environment-dependent mechanical properties of porous polypropylene separators”, Polymer (United Kingdom), vol. 55, pp. 6282–6292, 2014.

2019

J. Liu, Wang, Q., and Qi, Y., “Atomistic simulation of the formation and fracture of oxide bifilms in cast aluminum”, Acta Materialia, vol. 164, pp. 673 - 682, 2019.