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| Creator | Title | Description | Subject | Date | ||
|---|---|---|---|---|---|---|
| 1 |
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Liu, Feng | Magnetism and local order: ab initio tight-binding theory | The effects of the local environment on the electronic structure and magnetic moments of Fe, Co, and Ni have been studied by confining these atoms to assume various structural forms such as chains, surfaces, layers, and crystals. The coordination number of the atoms can thus be changed over a wide r... | Local order; Ab-initio tight-binding theory; Magnetic moment; Electronic structure; Fe; Co; Ni | 1989-04 |
| 2 |
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Chaudhuri, Reaz A. | Three-dimensional singular stress field at the front of a crack and lattice crack deviation (LCD) in a cubic single crystal plate | A novel eigenfunction expansion technique, based in part on separation of the thickness variable, is developed to derive three-dimensional asymptotic stress fields in the vicinity of the front of a semi-infinite through-crack weakening an infinite plate made of a homogeneous cubic single crystal. C... | 2010-05-12 | |
| 3 |
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Liu, Feng | Magnetism in small vanadium clusters | Using the self-consistent-field molecular-orbital theory and the density-functional approximation, we show that vanadium could become magnetic if its size and dimension were constrained. This is illustrated for vanadium forming clusters with body-centered-cubic (bcc) geometry as well as for linear c... | Vanadium clusters; Molecular-orbital theory; Density-functional approximation; Stoner criterion | 1991-04 |
| 4 |
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Bedrov, Dmitro; Smith, Grant D. | Molecular dynamics simulation study of elastic properties of HMX | Atomistic simulations were used to calculate the isothermal elastic properties for b-, a-, and d-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The room-temperature isotherm for each polymorph was computed in the pressure interval 0≤p≤10.6 GPa and was used to extract the initial isot... | HMX; Elastic tensors; Isotropic moduli; Polymorphs; Isothermal compression; Lattice parameters | 2003 |
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