UScholar Works
 
Filters: Department: "Materials Science & Engineering" Collection: "ir_uspace"
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CreatorTitleDescriptionSubjectDate
1 Bedrov, Dmitro; Smith, Grant D.Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: a molecular dynamics simulation studyNeutron scattering has shown the first diffraction peak in the structure factor of a 1,4-polybutadiene melt under compression to move to larger q values as expected but to decrease significantly in intensity. Simulations reveal that this behavior does not result from loss of structure in the polymer...Polymer melts; 1, 4-polybutadiene melts; Pressure; Structure factor2004-07
2 Smith, Grant D.; Bedrov, Dmitro; Borodin, OlegStructural relaxation and dynamic hetrogeneity in a polymer melt at attractive surfacesMolecular dynamics simulations of polymer melts at flat and structured surfaces reveal that, for the former, slow dynamics and increased dynamic heterogeneity for an adsorbed polymer is due to densification of the polymer in a surface layer, while, for the latter, the energy topography of the sur...Polymer melts; Structural relaxation; Dynamic heterogeneity; Attractive surfaces; Surface energy topography; Polymer densification2003-06
3 Stringfellow, Gerald B.; Williams, Clayton C.Atomic ordering of GaInP studied by Kelvin probe force microscopyThe atomic ordering of GaInP has been established and studied by a variety of methods, including transmission electron microscopy, cathodoluminescence, and photoluminescence. In this work, a Kelvin probe force microscope _x0002_KPFM_x0003_ has been employed to image several GaInP samples previous...Cathodoluminescence; Photoluminescence; Surface morphology1995
4 Scarpulla, MichaelPulsed laser processing of electrodeposited CuInSe2 photovoltaic absorber thin filmsIn this report we investigate the effects of pulsed laser annealing (PLA) on both as-electrodeposited (ED) and electrodeposited-furnace annealed (EDA) CuInSe2 (CIS) samples by varying the laser fluence (J/cm2) and number of pulses. Results for as-ED samples indicate that liquid CIS-phase formation d...2011-01-01
5 Liu, FengGeometric constant defining shape transitions of carbon nanotubes under pressureWe demonstrate that when a single-walled carbon nanotube is under pressure it undergoes a series of shape transitions, first transforming from a circle to an oval and then from an oval to a peanut. Most remarkably, the ratio of the area of the tube cross sections at the second transition over that ...Geometric constant; Shape transitions; Carbon nanotubes; Pressure2004-03
6 Liu, FengSeeing the atomic orbital: first-principles study of the effect of tip termination on atomic force microscopyWe perform extensive first-principles calculations to simulate the topographical atomic-force-microscope image of an adatom on the Si(111)-(7 X 7) surface, demonstrating the feasibility of imaging not only the atoms but also the atomic orbitals. Our comparative study of tip terminations shows that ...First-principles; Tip termination; Adatoms2003-06
7 Stringfellow, Gerald B.Effects of V/III ratio on ordering and antiphase boundaries in GaInP layersTransmission electron microscope (TEM) and transmission electron diffraction (TED) studies have been performed to investigate the effects of V/III ratio on ordering and antiphase boundaries (APBs) in organometallic vapor phase epitaxial Ga0.5In0.5P layers grown onto (001) GaAs vicinal substrates ...Antiphase boundaries; APB; Heterostructures; Organometallics1997
8 Bedrov, Dmitro; Smith, Grant D.Comparison of self-assembly in lattice and off-lattice model amphiphile solutionsLattice Monte Carlo and off-lattice molecular dynamics simulations of h1t4 and h4t1 (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent ther...Amphiphile solutions; Micellization; Surfactants2002
9 Smith, Grant D.On the non-Gaussianity of chain motion in unentangled polymer meltsWe have investigated chain dynamics of an unentangled polybutadiene melt via molecular dynamics simulations and neutron spin echo experiments. Good short-time statistics allows for the first experimental confirmation of subdiffusive motion of polymer chains for times less than the Rouse time (T R) c...Polymer melts; Chain dynamics; 1,4-polybutadiene melts; Neutron spin echo2001
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