Are surfaces elastically softer or stiffer

作者: L. G. Zhou , Hanchen Huang

DOI: 10.1063/1.1682698

关键词: Ab initio quantum chemistry methodsCondensed matter physicsSaturation (chemistry)Young's modulusClassical mechanicsMaterials scienceModulusStiffeningElastic modulusElectronSoftening

摘要: This letter addresses the issue of surface softening versus stiffening during elastic deformation. Using a combination of molecular statics and ab initio calculations, we show …

参考文章(16)
C. T. Sun, Haitao Zhang, Size-dependent elastic moduli of platelike nanomaterials Journal of Applied Physics. ,vol. 93, pp. 1212- 1218 ,(2003) , 10.1063/1.1530365
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
P.-O. Renault, E. Le Bourhis, P. Villain, Ph. Goudeau, K. F. Badawi, D. Faurie, Measurement of the elastic constants of textured anisotropic thin films from x-ray diffraction data Applied Physics Letters. ,vol. 83, pp. 473- 475 ,(2003) , 10.1063/1.1594280
P. Villain, Ph. Goudeau, P.-O. Renault, K. F. Badawi, Size effect on intragranular elastic constants in thin tungsten films Applied Physics Letters. ,vol. 81, pp. 4365- 4367 ,(2002) , 10.1063/1.1527229
A. M. Krivtsov, N. F. Morozov, On mechanical characteristics of nanocrystals Physics of the Solid State. ,vol. 44, pp. 2260- 2265 ,(2002) , 10.1134/1.1529921
Hendrik J. Monkhorst, James D. Pack, Special points for Brillouin-zone integrations Physical Review B. ,vol. 13, pp. 5188- 5192 ,(1976) , 10.1103/PHYSREVB.13.5188
O. H. Nielsen, Richard M. Martin, Stresses in semiconductors: Ab initio calculations on Si, Ge, and GaAs. Physical Review B. ,vol. 32, pp. 3792- 3805 ,(1985) , 10.1103/PHYSREVB.32.3792
Ronald E Miller, Vijay B Shenoy, SIZE-DEPENDENT ELASTIC PROPERTIES OF NANOSIZED STRUCTURAL ELEMENTS Nanotechnology. ,vol. 11, pp. 139- 147 ,(2000) , 10.1088/0957-4484/11/3/301