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- Shigenobu Ogata, Ju Li, Sidney Yip
- Science
- 2002

Although aluminum has a smaller modulus in [111]<112> shear than that of copper, we find by first-principles calculation that its ideal shear strength is larger because of a more extended deformation… (More)

- Hideo Kaburaki, Futoshi Shimizu, +4 authors Mitsuhiro Itakura
- 2007

Predicting atomistic properties of a dislocation is a first step toward an understanding of plastic behavior of materials, in particular BCC metals. The core structure and Peierls stress of a screw… (More)

The aged-rejuvenation-glue-liquid (ARGL) shear band model has been proposed for metallic glasses (Acta Mater. 54 (2006) 4293), based on small-scale molecular dynamics simulations up to 20,000 atoms… (More)

- Akio Ishii, Shigenobu Ogata, Hajime Kimizuka, Ju Li
- 2012

We have developed an accelerated molecular dynamics (MD) method to model atomic-scale rare events. In this method, a smooth histogram of collective variables is first estimated by canonical ensemble… (More)

Using density-functional theory, we computed all the independent elastic constants of coesite, a high-pressure polymorph of silica, as functions of pressure up to 15 GPa. The results are in good… (More)

Shear bands form in most bulk metallic glasses (BMGs) within a narrow range of uniaxial strain ey @ 2%. We propose this critical condition corresponds to embryonic shear band (ESB) propagation, not… (More)

- Ting Zhu, Ju Li, Shigenobu Ogata, Sidney Yip
- 2009

167 Abstract Recent experiments on nanoscale materials, including nanowires, nanopillars, nanoparticles, nanolayers, and nanocrystals, have revealed a host of “ultra-strength” phenomena, defined by… (More)

Shear deformations of Cu57Zr43 bulk metallic glass (BMG) model systems are performed using molecular dynamics simulation. The results suggest that both the hydrostatic stress and the stress normal to… (More)

- Shigenobu Ogata, Ju Li
- 2009

We correlate the experimentally measured fracture toughness of 24 metals and ceramics to their quantum mechanically calculated brittleness parameter. The brittleness parameter is defined as the ratio… (More)

- Shigenobu Ogata, Ju Li, Sidney Yip
- 2004

– The (21̄1̄)〈111〉 twinning energy landscape of BCC Mo is determined using the density functional theory for embryos containing 2 to 7 layers. The 2-layer embryo is metastable, whereas the 3and… (More)