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1.	Nakano, A, et al. (author) Large-scale atomistic modeling of nanoelectronic structures 2000 In: IEEE TRANSACTIONS ON ELECTRON DEVICES. - : IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC. - 0018-9383. ; 47:10, s. 1804-1810 Journal article (peer-reviewed)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
2.	Bachlechner, ME, et al. (author) Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si3N4(0001) nanopixels 1998 In: APPLIED PHYSICS LETTERS. - : AMER INST PHYSICS. - 0003-6951. ; 72:16, s. 1969-1971 Journal article (other academic/artistic)abstract Ten million atom multiresolution molecular-dynamics simulations are performed on parallel computers to determine atomic-level stress distributions in a 54 nm nanopixel on a 0.1 mu m silicon substrate. Effects of surfaces, edges, and lattice mismatch at th
3.	Omeltchenko, A, et al. (author) Stress domains in Si(111)/a-Si3N4 nanopixel: Ten-million-atom molecular dynamics simulations on parallel computers 2000 In: PHYSICAL REVIEW LETTERS. - : AMERICAN PHYSICAL SOC. - 0031-9007. ; 84:2, s. 318-321 Journal article (peer-reviewed)abstract Parallel molecular dynamics simulations are performed to determine atomic-level stresses in Si(111)/Si3N4(0001) and Si(111)/a-Si3N4 nanopixels. Compared to the crystalline case, the stresses in amorphous Si3N4 are highly inhomogeneous in the plane of the
4.	Bachlechner, ME, et al. (author) Dislocation emission at the silicon/silicon nitride interface: A million atom molecular dynamics simulation on parallel computers 2000 In: PHYSICAL REVIEW LETTERS. - : AMERICAN PHYSICAL SOC. - 0031-9007. ; 84:2, s. 322-325 Journal article (peer-reviewed)abstract Mechanical behavior of the Si(111)/Si3N4(0001) interface is studied using million atom molecular dynamics simulations, At a critical value of applied strain parallel to the interface, a crack forms on the silicon nitride surface and moves toward the inter
5.	Bachlechner, ME, et al. (author) Structural correlations at Si/Si3N4 interface and atomic stresses in Si/Si3N4 nanopixel-10 million-atom molecular dynamics simulation on parallel computers 1999 In: JOURNAL OF THE EUROPEAN CERAMIC SOCIETY. - : ELSEVIER SCI LTD. - 0955-2219. ; 19:13-14, s. 2265-2272 Journal article (other academic/artistic)abstract We have combined first-principle calculations of charge transfer at the Si/Si3N4 interface with the interaction potential models for bulk Si and Si3N4 to produce a model for the Si/Si3N4 interface. Using these interatomic potentials, million atom molecula
6.	Ebbsjo, I, et al. (author) Topology of amorphous gallium arsenide on intermediate length scales: A molecular dynamics study 2000 In: JOURNAL OF APPLIED PHYSICS. - : AMER INST PHYSICS. - 0021-8979. ; 87:11, s. 7708-7711 Journal article (peer-reviewed)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
7.	LOONG, CK, et al. (author) CRYSTAL-STRUCTURE AND PHONON DENSITY-OF-STATES OF HIGH-TEMPERATURE CERAMIC SILICON-NITRIDE 1995 In: EUROPHYSICS LETTERS. - : EDITIONS PHYSIQUE. - 0295-5075. ; 31:4, s. 201-206 Journal article (other academic/artistic)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.
8.	Rino, JP, et al. (author) Pressure induced structural transformation in gallium arsenide: A molecular dynamics study 2001 In: Phys. Rev. B. ; submitted Journal article (peer-reviewed)
9.	Shimojo, F, et al. (author) Molecular dynamics simulation of structural transformation in silicon carbide under pressure 2000 In: PHYSICAL REVIEW LETTERS. - : AMERICAN PHYSICAL SOC. - 0031-9007. ; 84:15, s. 3338-3341 Journal article (peer-reviewed)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
10.	Vashishta, P, et al. (author) Crack propagation and fracture in ceramic films - Million atom molecular dynamics simulations on parallel computers 1996 In: MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY. - : ELSEVIER SCIENCE SA LAUSANNE. - 0921-5107. ; 37:1-3, s. 56-71 Journal article (other academic/artistic)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
11.	VASHISHTA, P, et al. (author) LOW-ENERGY FLOPPY MODES IN HIGH-TEMPERATURE CERAMICS 1995 In: PHYSICAL REVIEW LETTERS. - : AMER INST PHYSICS. - 0031-9007. ; 75:5, s. 858-861 Journal article (other academic/artistic)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
12.	Vashishta, P, et al. (author) Million atom molecular dynamics simulations of materials on parallel computers 1996 In: CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE. - : CURRENT SCIENCE LTD. ; 1:6, s. 853-863 Review (other academic/artistic)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
13.	VASHISHTA, P, et al. (author) MOLECULAR-DYNAMICS SIMULATIONS OF COVALENT AMORPHOUS INSULATORS ON PARALLEL COMPUTERS 1995 In: JOURNAL OF NON-CRYSTALLINE SOLIDS. - : ELSEVIER SCIENCE BV. - 0022-3093. ; 182:1-2, s. 59-67 Journal article (other academic/artistic)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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Result 1-13 of 13

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Type of publication: journal article (12); review (1)

Type of content: other academic/artistic (7); peer-reviewed (6)

Author/Editor: Kalia, RK (13); Vashishta, P (13); Ebbsjo, I (12); Nakano, A. (11); Omeltchenko, A (6); Bachlechner, ME (5); show more...; Madhukar, A (5); Rino, JP (4); Shimojo, F (3); Messina, P (2); Chatterjee, A. (1); Li, W. (1); Zhao, GL (1); Wang, JH (1); Walsh, P. (1); LOONG, CK (1); Branicio, P (1); Campbell, TJ (1); Ogata, S (1); Ebbsjö, I (1); Tsuruta, K (1); show less...

University: Uppsala University (13)

Language: English (13)

Research subject (UKÄ/SCB): Natural sciences (1)

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