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- Ebbsjo, I, et al.
(författare)
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Topology of amorphous gallium arsenide on intermediate length scales: A molecular dynamics study
- 2000
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Ingår i: JOURNAL OF APPLIED PHYSICS. - : AMER INST PHYSICS. - 0021-8979. ; 87:11, s. 7708-7711
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Tidskriftsartikel (refereegranskat)abstract
- Structural correlations in amorphous gallium arsenide are investigated with molecular-dynamics simulations using a new interatomic potential function. The calculated static structure factor, in particular the height and width of the first peak which is a
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- LOONG, CK, et al.
(författare)
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CRYSTAL-STRUCTURE AND PHONON DENSITY-OF-STATES OF HIGH-TEMPERATURE CERAMIC SILICON-NITRIDE
- 1995
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Ingår i: EUROPHYSICS LETTERS. - : EDITIONS PHYSIQUE. - 0295-5075. ; 31:4, s. 201-206
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The crystal structure of Si3N4 powder is determined by neutron diffraction technique and the phonon density of states is investigated by a joint study of inelastic neutron scattering and molecular-dynamics simulations.
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- Nakano, A, et al.
(författare)
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Large-scale atomistic modeling of nanoelectronic structures
- 2000
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Ingår i: IEEE TRANSACTIONS ON ELECTRON DEVICES. - : IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC. - 0018-9383. ; 47:10, s. 1804-1810
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Tidskriftsartikel (refereegranskat)abstract
- Large-scale molecular-dynamics simulations are performed on parallel computers to study critical issues on ultrathin dielectric films and device reliability in nest decade semiconductor devices, New interatomic-potential models based on many-body, reactiv
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- Shimojo, F, et al.
(författare)
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Molecular dynamics simulation of structural transformation in silicon carbide under pressure
- 2000
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMERICAN PHYSICAL SOC. - 0031-9007. ; 84:15, s. 3338-3341
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Tidskriftsartikel (refereegranskat)abstract
- Pressure-induced structural transformation in cubic silicon carbide is studied with the isothermal-iosbaric molecular-dynamics method using a new interatomic potential scheme. The reversible transformation between the fourfold coordinated zinc-blende stru
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- Vashishta, P, et al.
(författare)
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Crack propagation and fracture in ceramic films - Million atom molecular dynamics simulations on parallel computers
- 1996
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Ingår i: MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY. - : ELSEVIER SCIENCE SA LAUSANNE. - 0921-5107. ; 37:1-3, s. 56-71
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- A highly efficient space-time multiresolution algorithm has been developed to carry out large-scale molecular dynamics (MD) simulations for systems with long-range Coulomb and three-body covalent interactions. The algorithm combines the fast multipole and
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- VASHISHTA, P, et al.
(författare)
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LOW-ENERGY FLOPPY MODES IN HIGH-TEMPERATURE CERAMICS
- 1995
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMER INST PHYSICS. - 0031-9007. ; 75:5, s. 858-861
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Enhancement of the phonon density of states due to low-energy floppy modes in crystalline and glassy states of the high-temperature ceramic Si3N4 is investigated using the molecular-dynamics method. Floppy modes appear continuously in the glass as the con
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- Vashishta, P, et al.
(författare)
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Million atom molecular dynamics simulations of materials on parallel computers
- 1996
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Ingår i: CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE. - : CURRENT SCIENCE LTD. ; 1:6, s. 853-863
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Recension (övrigt vetenskapligt/konstnärligt)abstract
- Recent advances in computing technology - parallel computer architectures, portable software and development of robust O(N) algorithms - have revolutionized the field of computer simulation. Using the space-time multiresolution molecular dynamics algorith
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- VASHISHTA, P, et al.
(författare)
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MOLECULAR-DYNAMICS SIMULATIONS OF COVALENT AMORPHOUS INSULATORS ON PARALLEL COMPUTERS
- 1995
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Ingår i: JOURNAL OF NON-CRYSTALLINE SOLIDS. - : ELSEVIER SCIENCE BV. - 0022-3093. ; 182:1-2, s. 59-67
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Algorithms are designed to implement molecular dynamics (MD) simulations on emerging concurrent architectures. A highly efficient multiresolution algorithm is designed to carry out large-scale MD simulations for systems with long-range Coulomb and three-b
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