DSpace at My University: Recent submissions
Now showing items 261-280 of 445
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Elemental vacancy diffusion for fcc and hcp structures - spreadsheets for plots
(2014-09-18)See entry at http://hdl.handle.net/11256/76 for Angsten T et al (2014) Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures. New J. Phys. 16 015018 http: ... -
Al-Co-W 900C Phase Equilibria Data
(2014-09-03)Phase equilibria at 900 °C in the Co-rich Co-Al-W ternary system are investigated through isothermal annealing of six alloy compositions for times up to 8000 h. The volume fraction of the L12-γ′ phase co-existing with ... -
Ta Melting Point Calculation by Small-cell Coexistence Method
(2014-08-16)We calculate the melting temperature of Tantalum, by employing the small-size coexistence solid-liquid coexistence method. Two pseudo-potentials are employed, namely Ta_v (5d^3 6s^2) and Ta_pv (5p^6 5d^3 6s^2). Results ... -
Np incorporation into metal organic frameworks
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Li-Ni-Mn-Co-Ti-O Voltage Profile
(2014-08-11)The performance enhancements associated with Ti substitution of Co in the layered cathode material Li1(NixMnxCo1-2x)O2 were investigated using density functional theory calculations. Examining the structural and electronic ... -
GeTe-PbTe PbS-PbTe PbSe-PbS PbTe-PbSe PbTe-SnTe SnTe-GeTe mixing and coherency strain energies
(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, ... -
Temperature Dependece of the Elastic Constants of Aluminum
(1979-03-02)The single crystal elastic constants of aluminum have been measured using a piezoelectric composite oscillator from room temperature to just 20K below the melting point. The elastic moduli differ markedly from previous ... -
The High Temperature Elastic Moduli of Aluminum
(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 ... -
The composite piezoelectric oscillator is employed to measure the adiabatic elastic moduli of crystalline aluminum over the temperature interval 63°K to 773°K.
(1953-04-28)The composite piezoelectric oscillator is employed to measure the adiabatic elastic moduli of crystalline aluminum over the temperature interval 63'K to 773 K. The data permit a valid extrapolation to O'K. The Debye ... -
Measurment of Equilibrium Concentrations in Aluminum
(1959-07-31)Measurements of change in length and change in lattice parameter were made at identical temperatures on 99.995% aluminum in the temperature range 229 to 656°C. Length changes, ΔL, were measured on an unconstrained horizontal ... -
The Relation Between Bulk Modulus and Relative Enthalpy: a Broad-Based Thermodynamic Analysis and a Case Study on Aluminum
(2001-07-17)By postulating a linear relationship between logarithmic bulk modulus and relative enthalpy, we have developed in this paper a thermodynamic framework that provides a link between thermal properties and bulk modulus under ... -
Temperature Variation of the Elastic Constants of Cubic Elements. I. Copper
(1954-09-08)The ultrasonic pulse technique has been used in conjunction with a specially devised cryogenic technique to measure the velocities of 10-Mc/sec acoustic waves in copper single crystals in the range from 4.2°K to 300°K. The ... -
Temperature Dependence of the Elastic constants of Cu, Ag, and Au above Room Temperature
(1966-02-16)The adiabatic elastic constants C44, 1/2(Cll-C12), and 1/2(cll+C12+2c44) have been measured for copper, silver, and gold over the temperature range from 300° to about BOO 0K using the conventional ultrasonic pulse-echo ... -
Electronic structures of long periodic stacking order structures in Mg: A first-principles study
(2014-08-08)Long period stacking order (LPSO) structures, such as 6H, 10H, 14H, 18R and 24R, play significant roles in enhancing the mechanical properties of Mg alloys and have been largely investigated separately. In the present ... -
Elemental vacancy diffusion for fcc and hcp structures
(2014-08-08)This work demonstrates how databases of diffusion-related properties can be developed from high-throughput ab initio calculations. The formation and migration energies for vacancies of all adequately stable pure elements ... -
A Modified Embedded Atom Method Potential for the Titanium-Oxygen System
(2014-07-15)These data files correspond to our publication listed above. The files included here are: 1) LAMMPS and VASP input files describing the structures specified in the article. 2) LAMMPS and VASP output files describing the ... -
Measurement of Equilibrium Concentrations of Vacancies in Copper
(2014-07-02)The net added fraction of thermally-generated atomic sites, ΔNN, has been measured, during equilibrium heating to near the melting point, in a coarse-grained copper bar of 99.999% purity. The linear thermal expansion, ΔLL, ... -
Nature of Long-Range Order in Cu3+xAu1-x
(2003-11-17)The diffuse scattering and intensities of Bragg peaks from single crystals of Cu77Au23 and Cu78Au22 have been studied for various degrees of long‐range order. The results indicate that the excess Cu atoms, replacing Au in ...