Now showing items 175-194 of 380

    • GAMESS 

      Mark Gordon; Gordon Research Group Ames Laboratory/Iowa State University
      "GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration ...
    • GAMESS-UK 

      CFS Ltd.
      "GAMESS-UK is the general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. More ...
    • GaN nanowire image acquired by near-field scanning microwave microscopy 

      Coakley, Kevin J (2016-07-27)
      I have posted ascii file versions of image files corresponding to near-field scanning microwave microscopy (NSSM) images of a GaN nanowire. One image (fig5a.txt) corresponds to the raw image which is shown in Figure 5a ...
    • Gaussian 

      Gaussian Inc.
      "Gaussian 09 is the latest version of the Gaussian® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws ...
    • Gd–Mg–Sm Thermodynamic Description 

      Du, Z.; Li, C. (2013-03-28)
      The Mg–Sm, Gd–Sm and Gd–Mg–Sm systems were thermodynamically optimized using the CALPHAD technique. The solution phases, liquid, bcc, hcp and rhombohedral, were described by the substitutional solution model. The isostructural ...
    • General Stacking Fault (GSF) 

      Sebastein Groh
      Scripts to calculate General Stacking Fault curves for different crystal structures. Research version is only available to CAVS researchers.
    • Geometries of edge and mixed dislocations in bcc Fe from first principles calculations 

      Fellinger, Michael R.; Tan, Anne Marie Z.; Hector Jr., Louis G.; Trinkle, Dallas R.
      We use density functional theory (DFT) to compute the core structures of a_0[100](010) edge, a_0[100](011) edge, a_0/2[-1-11](1-10) edge, and a_0/2[111](1-10) 71 degree mixed dislocations in body-centered cubic (bcc) Fe. ...
    • GeTe-PbTe PbS-PbTe PbSe-PbS PbTe-PbSe PbTe-SnTe SnTe-GeTe mixing and coherency strain energies 

      Doak, Jeff W.; Wolverton, C. (2012-10-15)
      Nanostructures formed by phase separation improve the thermoelectric figure of merit in lead chalcogenide semiconductor alloys, with coherent nanostructures giving larger improvements than incoherent nanostructures. However, ...
    • H-Ti Thermodynamic description 

      Du, J.L.; Kong, X.C.; Li, C.H.; Li, Z.H. (2013-03-29)
      Previous thermodynamic assessments of the Ti–H system are reviewed, and a new evaluation is carried out by taking into account the liquid phase in the system using the associate solution model. The sublattice model is ...
    • H; O; OH; O2; H2O 

      Burgess, Donald (2016-05-04)
      abstract
    • Heat Treating of Aluminum Alloys 

      Unknown author (2013-12-03)
      HEAT TREATING in its broadest sense, refers to any of the heating and cooling operations that are performed for the purpose of changing the mechanical properties, the metallurgical structure, or the residual stress state ...
    • Hf-Ox First principles phase diagram calculations for the octahedral-interstitial system 

      Burton, Benjamin P. (2013-04-03)
      The group IV hexagonal closest packed (hcp) suboxides MOX (M = Ti, Zr or Hf) all exhibit octahedral interstitial ordering of oxygen, O, and vacancies, in solid solutions of the form View the MathML source, 0≤X≤1/2. By far, ...
    • Hg–Ga-Mg Thermodynamic assessment of phase equilibria 

      Feng, Y.; Jin, Zhan-Peng; Liu, Huashan; Wang, R. (2013-03-29)
      Phase relations in the Mg–Hg–Ga ternary system have been experimentally and thermodynamically studied. At first, the isothermal sections of the Mg–Hg–Ga system in the Mg-rich region at 673 K and 473 K were investigated by ...
    • High strain rate data for Medium Mn 2 (10 Wt. % Mn) Steel 

      Hector, Lou; Alturk, Rakan
      A General Motors Instron VHS 2-Column Servo-Hydraulic Test Unit with High Speed Stereo Digital Image Correlation for strain measurement and dual strain gauges for load measurement were used. Materials were tested at room ...
    • The High Temperature Elastic Moduli of Aluminum 

      Gerlich, D; Fisher, E.S. (1968-11-04)
      Measurements of the elastic moduli of aluminum over the temperature range 300°–930°K are reported. These data together with those reported for T < 300°K, show that all elastic moduli, including the shear moduli, vary ...
    • High-Strength Aluminum Powder Metallurgy Alloys 

      J.R. Pickens (2013-12-03)
      This article describes and reviews the latter of these two areas of aluminum P/M technology where high strength and improved combinations of properties are obtained by exploiting the inherent advantages of P/M for alloy ...
    • High-throughput Diffraction and Spectroscopic Data for Fe-Cr-Al Oxidation Studies 

      Bunn, Jonathan K.; Fang, Randy L.; Albing, Mark R.; Mehta, Apurva; Kramer, Matt J.; Besser, Matt F.; Hattrick-Simpers, Jason R (2015-06-28)
      The data set was used to evaluate a Fe-Cr-Al thin film samples in a narrow composition region centered on known bulk compositions. The data are composed of two individual studies. The first set of data is a low temperature ...
    • Hydrostatic Extrusion of Metals and Alloys 

      J.J. Lewandowski and A. Awadallah (2013-12-03)
      IN HYDROSTATIC EXTRUSION, the billet is extruded through a die via the action of a liquid pressure medium instead of the direct application of the load through a ram. In cases of hydrostatic extrusion, the billet is ...
    • HYPERMESH 

      Altair
      Altair HyperMesh is a high-performance finite element pre-processor to prepare even the largest models, starting from import of CAD geometry to exporting an analysis run for various disciplines. HyperMesh enables engineers ...