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La ricerca find articoli where soggetti phrase all words 'computer simulation' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 6499 riferimenti
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    1. Tien, CL; Weng, JG
      Molecular dynamics simulation of nanoscale interfacial phenomena in fluids

      ADVANCES IN APPLIED MECHANICS, VOL 38
    2. Ghiass, M; Rey, AD; Dabir, B
      Microstructure evolution and simulation of copolymerization reaction usinga percolation kinetic gelation model

      POLYMER
    3. Ginzburg, VV; Qiu, F; Balazs, AC
      Three-dimensional simulations of diblock copolymer/particle composites

      POLYMER
    4. Ozisik, R; von Meerwall, ED; Mattice, WL
      Comparison of the diffusion coefficients of linear and cyclic alkanes

      POLYMER
    5. Gultyaev, AP; van Batenburg, FHD; Pleij, CWA
      Selective pressures on RNA hairpins in vivo and in vitro

      JOURNAL OF MOLECULAR EVOLUTION
    6. Li, MW; Li, YR; Imaishi, N; Tsukada, T
      Global simulation of a silicon Czochralski furnace

      JOURNAL OF CRYSTAL GROWTH
    7. Gunzburger, M; Ozugurlu, E; Turner, J; Zhang, H
      Controlling transport phenomena in the Czochralski crystal growth process

      JOURNAL OF CRYSTAL GROWTH
    8. Yuan, HR; Chen, Z; Lu, DC; Liu, XL; Han, PD; Wang, XH
      A geometrical model of GaN morphology in initial growth stage

      JOURNAL OF CRYSTAL GROWTH
    9. Lu, DC; Duan, SK
      Quasi-thermo dynamic analysis of MOVPE growth of GaxAlyIn1-x-yN

      JOURNAL OF CRYSTAL GROWTH
    10. Uragami, T; Acosta, AS; Fujioka, H; Mano, T; Ohta, J; Ofuchi, H; Oshima, M; Takagi, Y; Kimura, M; Suzuki, T
      Characterization of strain distribution in quantum dots by X-ray diffraction

      JOURNAL OF CRYSTAL GROWTH
    11. Zeng, Z; Mizuseki, H; Shimamura, K; Fukuda, T; Kawazoe, Y; Higashino, K
      Usefulness of experiments with model fluid for thermocapillary convection-effect of Prandtl number on two-dimensional thermocapillary convection

      JOURNAL OF CRYSTAL GROWTH
    12. Iwai, Y; Nakajima, M
      Production of binary holograms with laser punch

      ELECTRONICS AND COMMUNICATIONS IN JAPAN PART II-ELECTRONICS
    13. Xiao, HB; Liang, XM; Lu, PC
      Total analytical method for Radix astragali extract using two-binary multi-segment gradient elution liquid chromatography

      JOURNAL OF SEPARATION SCIENCE
    14. Schlitter, J; Swegat, W; Mulders, T
      Distance-type reaction coordinates for modelling activated processes

      JOURNAL OF MOLECULAR MODELING
    15. Cygan, RT
      Molecular modeling in mineralogy and geochemistry

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    16. Gale, JD
      Simulating the crystal structures and properties of ionic materials from interatomic potentials

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    17. Garofalini, SH
      Molecular dynamics simulations of silicate glasses and glass surfaces

      MOLECULAR MODELING THEORY: APPLICATIONS IN THE GEOSCIENCES
    18. Wu, XZ; Wu, JQ; Pawliszyn, J
      Whole-column-imaging detection for capillary isoelectric focusing and capillary electrophoresis

      LC GC NORTH AMERICA
    19. Amadei, A; Iacono, B; Grego, S; Chillemi, G; Apol, MEF; Paci, E; Delfini, M; Di Nola, A
      On the use of the quasi-Gaussian entropy theory in systems of polyatomic flexible molecules

      JOURNAL OF PHYSICAL CHEMISTRY B
    20. Schneider, MJ; Feller, SE
      Molecular dynamics simulations of a phospholipid-detergent mixture

      JOURNAL OF PHYSICAL CHEMISTRY B
    21. Vrabec, J; Stoll, J; Hasse, H
      A set of molecular models for symmetric quadrupolar fluids

      JOURNAL OF PHYSICAL CHEMISTRY B
    22. Baaden, M; Burgard, M; Wipff, G
      TBP at the water-oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    23. Kobrak, MN; Hammes-Schiffer, S
      Molecular dynamics simulation of proton-coupled electron transfer in solution

      JOURNAL OF PHYSICAL CHEMISTRY B
    24. de Leeuw, NH
      Density functional theory calculations of hydrogen-containing defects in forsterite, periclase, and alpha-quartz

      JOURNAL OF PHYSICAL CHEMISTRY B
    25. Aleman, C
      A computational study of partially modified retro-inverso valine dipeptides: Effect of the side chain on the conformational preferences of malonyl and gem-diamino residues

      JOURNAL OF PHYSICAL CHEMISTRY B
    26. Mountain, RD; Hubbard, JB; Meuse, CW; Simmons, V
      Molecular dynamics study of partial monolayer ordering of chain molecules

      JOURNAL OF PHYSICAL CHEMISTRY B
    27. Villa, J; Warshel, A
      Energetics and dynamics of enzymatic reactions

      JOURNAL OF PHYSICAL CHEMISTRY B
    28. Mark, P; Nilsson, L
      Molecular dynamics simulations of the Ala-Pro dipeptide in water: Conformational dynamics of trans and cis isomers using different water models

      JOURNAL OF PHYSICAL CHEMISTRY B
    29. Fuchs, AH; Cheetham, AK
      Adsorption of guest molecules in zeolitic materials: Computational aspects

      JOURNAL OF PHYSICAL CHEMISTRY B
    30. Woodley, SM; Battle, PD; Catlow, CRA; Gale, JD
      Development of a new interatomic potential for the modeling of ligand field effects

      JOURNAL OF PHYSICAL CHEMISTRY B
    31. Vishnyakov, A; Neimark, AV
      Studies of liquid-vapor equilibria, criticality, and spinodal transitions in nanopores by the gauge cell Monte Carlo simulation method

      JOURNAL OF PHYSICAL CHEMISTRY B
    32. Lefohn, AE; Ovchinnikov, M; Voth, GA
      A multistate empirical valence bond approach to a polarizable and flexiblewater model

      JOURNAL OF PHYSICAL CHEMISTRY B
    33. Wallqvist, A; Gallicchio, E; Levy, RM
      A model for studying drying at hydrophobic interfaces: Structural and thermodynamic properties

      JOURNAL OF PHYSICAL CHEMISTRY B
    34. Kaira, A; Tugcu, N; Cramer, SM; Garde, S
      Salting-in and salting-out of hydrophobic solutes in aqueous salt solutions

      JOURNAL OF PHYSICAL CHEMISTRY B
    35. Bandyopadhyay, S; Shelley, JC; Klein, ML
      Molecular dynamics study of the effect of surfactant on a biomembrane

      JOURNAL OF PHYSICAL CHEMISTRY B
    36. Sayle, DC; Watson, GW
      The atomistic structures of MgO/SrTiO3(001) and BaO/SrTiO3(001) using simulated amorphization and recrystallization

      JOURNAL OF PHYSICAL CHEMISTRY B
    37. Cui, Q; Elstner, M; Kaxiras, E; Frauenheim, T; Karplus, M
      A QM/MM implementation of the self-consistent charge density functional tight binding (SCC-DFTB) method

      JOURNAL OF PHYSICAL CHEMISTRY B
    38. Shelley, JC; Shelley, MY; Reeder, RC; Bandyopadhyay, S; Klein, ML
      A coarse grain model for phospholipid simulations

      JOURNAL OF PHYSICAL CHEMISTRY B
    39. Jedlovszky, P; Mezei, M
      Orientational order of the water molecules across a fully hydrated DMPC bilayer: A Monte Carlo simulation study

      JOURNAL OF PHYSICAL CHEMISTRY B
    40. Hyun, JK; Dong, HT; Rhodes, CP; Frech, R; Wheeler, RA
      Molecular dynamics simulations and spectroscopic studies of amorphous tetraglyme (CH3O(CH2CH2O)(4)CH3) and tetraglyme : LiCF3SO3 structures

      JOURNAL OF PHYSICAL CHEMISTRY B
    41. Godfrey, SP; Badyal, JPS; Little, IR
      Plasmachemical dehydroxylation of high surface area silica at room temperature

      JOURNAL OF PHYSICAL CHEMISTRY B
    42. Graziano, G
      On the solubility of aliphatic hydrocarbons in 7 M aqueous urea

      JOURNAL OF PHYSICAL CHEMISTRY B
    43. Bornhauser, P; Bougeard, D
      Intensities of the vibrational spectra of siliceous zeolites by molecular dynamics calculations. I. Infrared spectra

      JOURNAL OF PHYSICAL CHEMISTRY B
    44. Bronnikova, TV; Schaffer, WM; Olsen, LF
      Nonlinear dynamics of the peroxidase-oxidase reaction: I. Bistability and bursting oscillations at low enzyme concentrations

      JOURNAL OF PHYSICAL CHEMISTRY B
    45. Brovchenko, I; Geiger, A; Oleinikova, A
      Phase equilibria of water in cylindrical nanopores

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    46. Coasne, B; Grosman, A; Dupont-Pavlovsky, N; Ortega, C; Simon, M
      Adsorption in an ordered and non-interconnected mesoporous material: Single crystal porous silicon

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    47. Dimitrov, DI; Raev, ND; Semerdzhiev, KI
      Molecular dynamics simulations of the electrical double layer at 1 M potassium halide solution/Hg electrode interfaces

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    48. Hakansson, P; Westlund, PO; Lindahl, E; Edholm, O
      A direct simulation of EPR slow-motion spectra of spin labelled phospholipids in liquid crystalline bilayers based on a molecular dynamics simulationof the lipid dynamics

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    49. Bearchell, CA; Heyes, DM; Moreton, DJ; Taylor, SE
      Overbased detergent particles: Experimental and molecular modelling studies

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    50. Arteca, GA; Edvinsson, T; Elvingson, C
      Compaction of grafted wormlike chains under variable confinement

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    51. Simon, C; Cartailler, T; Turq, P
      Selected transport properties of 2HF-KF using molecular dynamics

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    52. Bursing, H; Ouw, D; Kundu, S; Vohringer, P
      Probing solvation dynamics in liquid water and at phospholipid/water interfaces with femtosecond photon-echo spectroscopies

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    53. Nerukh, D; Griffiths, TR
      Complex vibrational correlation functions extracted from the resolved nu(2) band of liquid acetonitrile

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    54. Lachet, V; Buttefey, S; Boutin, A; Fuchs, AH
      Molecular simulation of adsorption equilibria of xylene isomer mixtures infaujasite zeolites. A study of the cation exchange effect on adsorption selectivity

      PHYSICAL CHEMISTRY CHEMICAL PHYSICS
    55. Berardi, R; Ricci, M; Zannoni, C
      Ferroelectric nematic and smectic liquid crystals from tapered molecules

      CHEMPHYSCHEM
    56. Raabe, D
      Mesoscale simulation of recrystallization textures and microstructures

      ADVANCED ENGINEERING MATERIALS
    57. Weygand, D; Brechet, Y; Lepinoux, J
      A vertex simulation of grain growth in 2D and 3D

      ADVANCED ENGINEERING MATERIALS
    58. Stroppolo, ME; Falconi, M; Caccuri, AM; Desideri, A
      Superefficient enzymes

      CELLULAR AND MOLECULAR LIFE SCIENCES
    59. Yu, JH; Li, LY; Xu, RR
      Towards rational design and synthesis of aluminophosphates with 2-D layer and 3-D open-framework structures

      MICROPOROUS AND MESOPOROUS MATERIALS
    60. Neimark, AV; Ravikovitch, PI
      Capillary condensation in MMS and pore structure characterization

      MICROPOROUS AND MESOPOROUS MATERIALS
    61. Stojakovic, D; Rajic, N
      Computational studies in the AlPO4-34 system

      JOURNAL OF POROUS MATERIALS
    62. Shapiro, BA; Wu, JC; Bengali, D; Potts, MJ
      The massively parallel genetic algorithm for RNA folding: MIMD implementation and population variation

      BIOINFORMATICS
    63. Bartczak, WM; Kroh, J; Zapalowski, M; Pernal, K
      Computer simulation of water and concentrated ionic solutions. Potential fluctuations and electron localization

      PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
    64. Poon, WCK; Egelhaaf, SU; Stellbrink, J; Allgaier, J; Schofield, AB; Pusey, PN
      Beyond simple depletion: phase behaviour of colloid-star polymer mixtures

      PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
    65. Ovadyahu, Z
      Electron-electron correlations in non-equilibrium hopping transport

      PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICSELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
    66. Olguin, A; Ortiz, M; Worner, CH; Herrera, O; Kad, BK; Hazzledine, PM
      Zener pins and needles

      PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICSELECTRONIC OPTICAL AND MAGNETIC PROPERTIES
    67. Pande, CS; Masumura, RA; Marsh, SP
      Stochastic analysis of two-dimensional grain growth

      PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS ANDMECHANICAL PROPERTIES
    68. Heino, P; Ristolainen, E
      Strength of nanoscale polycrystalline copper under shear

      PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS ANDMECHANICAL PROPERTIES
    69. Soneda, N; de la Rubia, TD
      Migration kinetics of the self-interstitial atom and its clusters in bce Fe

      PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS ANDMECHANICAL PROPERTIES
    70. Murch, GE; Belova, IV
      The vacancy wind effect for chemical diffusion in intermetallic compounds

      PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS ANDMECHANICAL PROPERTIES
    71. Miyake, A
      New criterion on zener pinning in 2-D systems

      SCRIPTA MATERIALIA
    72. Bodin, A; Sietsma, J; van der Zwaag, S
      Flow stress prediction during intercritical deformation of a low-carbon steel with a rule of mixtures and Fe-simulations

      SCRIPTA MATERIALIA
    73. Cherne, FJ; Deymier, PA
      Calculation of the transport properties of liquid aluminum with equilibrium and non-equilibrium molecular dynamics

      SCRIPTA MATERIALIA
    74. Park, SI; Lee, BJ; Lee, HM
      Estimation of order-disorder transition temperature in Pt-Co alloy by Monte Carlo simulation using modified embedded atom method

      SCRIPTA MATERIALIA
    75. Jung, JK; Park, YJ; Hwang, NM; Joo, YC
      Tertiary grain growth driven by surface energy

      SCRIPTA MATERIALIA
    76. Choi, SH; Barlat, F; Chung, JH
      Modeling of textures and yield surfaces during recrystallization in IF steel sheets

      SCRIPTA MATERIALIA
    77. Fukunaga, H; Nakamura, H
      Micromagnetic approach for relationship between nanostructure and magneticproperties of nanocomposite magnets

      SCRIPTA MATERIALIA
    78. Van Swygenhoven, H; Caro, A; Farkas, D
      Grain boundary structure and its influence on plastic deformation of polycrystalline FCC metals at the nanoscale: A molecular dynamics study

      SCRIPTA MATERIALIA
    79. Shimono, M; Onodera, H
      Geometrical and chemical factors in the glass-forming ability

      SCRIPTA MATERIALIA
    80. Mizuseki, H; Hongo, K; Kawazoe, Y; Wille, LT
      Multiscale simulation of cluster growth and deposition processes by directsimulation Monte Carlo method

      SCRIPTA MATERIALIA
    81. Rios, PR; Gottstein, G; Shvindlerman, LS
      Application of the thermodynamic theory of irreversible processes to normal grain growth

      SCRIPTA MATERIALIA
    82. Ding, W; Liu, J; Bowen, P
      Effects of fibre inter-ply distance on the transverse tensile behaviour oftitanium matrix composites

      SCRIPTA MATERIALIA
    83. Pareige, C; Blavette, D
      Simulation of the FCC -> FCC plus L1(2)+D0(22) kinetic reaction

      SCRIPTA MATERIALIA
    84. Kumar, DR; Kumar, RK; Philip, PK
      Numerical investigations of pyramid indentation on powder compacts

      SCRIPTA MATERIALIA
    85. Park, YJ; Joo, YC
      Electromigration-induced stress interaction between vias and polygranular clusters

      SCRIPTA MATERIALIA
    86. Xia, ZH; Curtin, WA
      Life prediction of titanium MMCs under low-cycle fatigue

      ACTA MATERIALIA
    87. Hoglund, L; Agren, J
      Analysis of the Kirkendall effect, marker migration and pore formation

      ACTA MATERIALIA
    88. Sakaguchi, N; Watanabe, S; Takahashi, H
      Heterogeneous dislocation formation and solute redistribution near grain boundaries in austenitic stainless steel under electron irradiation

      ACTA MATERIALIA
    89. Yang, R; Zhao, DL; Wang, YM; Wang, SQ; Ye, HQ; Wang, CY
      Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary

      ACTA MATERIALIA
    90. Watson, MJ; Harmer, MP; Chan, HM; Caram, HS
      Ignition phenomena and controlled firing of reaction-bonded aluminum oxide

      ACTA MATERIALIA
    91. Robson, JD; Prangnell, PB
      Dispersoid precipitation and process modelling in zirconium containing commercial aluminium alloys

      ACTA MATERIALIA
    92. Geiger, J; Roosz, A; Barkoczy, P
      Simulation of grain coarsening in two dimensions by cellular-automaton

      ACTA MATERIALIA
    93. Takahashi, J; Suito, H
      Random dispersion model of two-dimensional size distribution of second-phase particles

      ACTA MATERIALIA
    94. Kim, BN
      Modeling grain growth behavior inhibited by dispersed particles

      ACTA MATERIALIA
    95. Babu, SS; Miller, MK; Vitek, JM; David, SA
      Characterization of the microstructure evolution in a nickel base superalloy during continuous cooling conditions

      ACTA MATERIALIA
    96. Akisanya, AR; Zhang, Y; Chandler, HW; Henderson, RJ
      The deformation and densification of an array of metal-coated fibres

      ACTA MATERIALIA
    97. Xia, Z; Curtin, WA; Peters, PWM
      Multiscale modeling of failure in metal matrix composites

      ACTA MATERIALIA
    98. Meyers, MA; Vohringer, O; Lubarda, VA
      The onset of twinning in metals: A constitutive description

      ACTA MATERIALIA
    99. Rosler, J; Baker, M; Volgmann, M
      Stress state and failure mechanisms of thermal barrier coatings: Role of creep in thermally grown oxide

      ACTA MATERIALIA
    100. Henager, CH; Hoagland, RG
      Subcritical crack growth in CVISiCf/SiC composites at elevated temperatures: Dynamic crack growth model

      ACTA MATERIALIA


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/05/20 alle ore 02:38:46