Zobrazeno 1 - 10
of 459
pro vyhledávání: '"Widom, M."'
Atomic structures of Al-Co-Cu decagonal quasicrystals (QCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhance by Monte Carlo (MC) swapping of chemical species and replica exchang
Externí odkaz:
http://arxiv.org/abs/2404.14086
Autor:
Gao, M. C., Widom, M.
Correlations reduce the configurational entropies of liquids below their ideal gas limits. By means of first principles molecular dynamics simulations, we obtain accurate pair correlation functions of liquid metals, then subtract the mutual informati
Externí odkaz:
http://arxiv.org/abs/1712.07679
Autor:
Mende, P. C., Gao, Q., Ismach, A., Chou, H., Widom, M., Ruoff, R., Colombo, L., Feenstra, R. M.
Publikováno v:
Surf. Sci. 659, 31 (2017)
The thickness and interfacial geometry of hexagonal boron nitride (hBN) films grown by chemical vapor deposition on polycrystalline nickel foils is studied using low-energy electron microscopy (LEEM). The reflectivity of the electrons, measured over
Externí odkaz:
http://arxiv.org/abs/1611.04844
Autor:
Widom, M.
Among crystal structures of N-component metal alloys, far fewer examples are known with N>=4 than with N=2 or 3, in apparent contradiction to the exponentially growing number of possible combinations of elements. Two effects contribute to this shortf
Externí odkaz:
http://arxiv.org/abs/1610.02054
Autor:
Widom, M.
The chemical disorder intrinsic to high entropy alloys inevitably creates diffuse scattering in their x-ray or neutron diffraction patterns. Through first principles hybrid Monte Carlo/molecular dynamics simulations of two BCC high entropy alloy form
Externí odkaz:
http://arxiv.org/abs/1505.00243
Publikováno v:
J. Vac. Sci. Technol. B 33, 02B105 (2015)
A simple method is proposed for inclusion of inelastic effects (electron absorption) in computations of low-energy electron reflectivity (LEER) spectra. The theoretical spectra are formulated by matching of electron wavefunctions obtained from first-
Externí odkaz:
http://arxiv.org/abs/1411.6486
Publikováno v:
Solid State Sciences, Volume 47, September 2015, Pages 21-26
Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R3(bar)m), the enthalpy minimizing structure has lower, monoclinic, symmetry (sp
Externí odkaz:
http://arxiv.org/abs/1410.2946
Autor:
Srivastava, N., Gao, Qin, Widom, M., Feenstra, R. M., Nie, Shu, McCarty, K. F., Vlassiouk, I. V.
Publikováno v:
Phys. Rev. B 87, 245414 (2013)
The reflectivity of low energy electrons from graphene on copper substrates is studied both experimentally and theoretically. Well-known oscillations in the reflectivity of electrons with energies 0 - 8 eV above the vacuum level are observed in the e
Externí odkaz:
http://arxiv.org/abs/1303.2904
We explore the stability of structure exhibiting hybridization gaps across a broad range of binary and ternary intermetallic compositions by means of band structure and total energy calculations. This search reveals previously unknown metal-based ins
Externí odkaz:
http://arxiv.org/abs/1301.0744
Low-energy Electron Reflectivity from Graphene: First-Principles Computations and Approximate Models
Autor:
Feenstra, R. M., Widom, M.
Publikováno v:
Ultramicroscopy 130, 101 (2013)
A computational method is developed whereby the reflectivity of low-energy electrons from a surface can be obtained from a first-principles solution of the electronic structure of the system. The method is applied to multilayer graphene. Two bands of
Externí odkaz:
http://arxiv.org/abs/1212.5506