Computing thermomechanical properties of crosslinked epoxy by molecular dynamic simulations

Structural stability and lattice defects in copper:<i>Ab initio</i>, tight-binding, and embedded-atom calculations

Y. Mishin, Michael J. Mehl, D. A. Papaconstantopoulos et al. · Physical review. B, Condensed matter · 2001 · 2.1K citations

Natural Sciences, Materials Science, Physics +17

An ab Initio CFF93 All-Atom Force Field for Polycarbonates

Huai Sun, Stephen J. Mumby, Jon R. Maple et al. · Journal of the American Chemical Society · 1994 · 1.3K citations

Natural Sciences, Chemistry, Materials Science +6

Strain fluctuations and elastic constants

Michele Parrinello, A. Rahman · The Journal of Chemical Physics · 1982 · 897 citations

Natural Sciences, Materials Science, Physics +17

Cross-Linking–Effect on Physical Properties of Polymers

Lawrence E. Nielsen · Journal of macromolecular science. Part C, Reviews in macromolecular chemistry and physics/Journal of macromolecular science. Reviews in macromolecular chemistry and physics · 1969 · 891 citations

Natural Sciences, Materials Engineering, Materials Science +17

Detailed molecular structure of a vinyl polymer glass

Doros N. Theodorou, Ulrich W. Suter · Macromolecules · 1985 · 876 citations

Natural Sciences, Chemistry, Materials Science +15