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Articles 1 - 30 of 44
Full-Text Articles in Physical Sciences and Mathematics
Comparisons Of Electron Fluxes Measured In The Crustal Fields At Mars By The Mgs Magnetometer/Electron Reflectometer Instrument With A B Field-Dependent Transport Code, Michael W. Liemohn, David L. Mitchell, Andrew F. Nagy, Jane L. Fox, Tamara W. Reimer, Yingjuan J. Ma
Comparisons Of Electron Fluxes Measured In The Crustal Fields At Mars By The Mgs Magnetometer/Electron Reflectometer Instrument With A B Field-Dependent Transport Code, Michael W. Liemohn, David L. Mitchell, Andrew F. Nagy, Jane L. Fox, Tamara W. Reimer, Yingjuan J. Ma
Physics Faculty Publications
We compare Mars Global Surveyor (MGS) magnetometer/electron reflectometer data with results from a B field–dependent kinetic transport code for ‘‘superthermal’’ electrons. The photoelectrons created on crustal field loops, when they are on the dayside, allow for the exploration of the magnetic topology and the upper atmospheric density structure. A case study of a typical orbit of the MGS satellite through the strong crustal field region in the southern hemisphere of Mars is examined. The results indicate that the low solar wind dynamic pressure during the selected orbit allowed for the expansion of the crustal field line to relatively high altitudes. …
Fabrication And Characterization Of N-Zno/P-Algan Heterojunction Light-Emitting Diodes On 6h-Sic Substrates, Ya I. Alivov, E. V. Kalinina, A. E. Cherenkov, David C. Look, B. M. Ataev, A. K. Omaev, M. V. Chukichev, D. M. Bagnall
Fabrication And Characterization Of N-Zno/P-Algan Heterojunction Light-Emitting Diodes On 6h-Sic Substrates, Ya I. Alivov, E. V. Kalinina, A. E. Cherenkov, David C. Look, B. M. Ataev, A. K. Omaev, M. V. Chukichev, D. M. Bagnall
Physics Faculty Publications
We report on the fabrication of n-ZnO/p-AlGaN heterojunction light-emitting diodes on 6H-SiC substrates. Hydride vapor phase epitaxy was used to grow p-type AlGaN, while chemical vapor deposition was used to produce the n-type ZnO layers. Diode-like, rectifying I-V characteristics, with threshold voltage ~3.2 V and low reverse leakage current ~10-7 A, are observed at room temperature. Intense ultraviolet emission with a peak wavelength near 389 nm is observed when the diode is forward biased; this emission is found to be stable at temperatures up to 500 K and shown to originate from recombination within the ZnO.
Twin-Rainbow Metrology. I. Measurement Of The Thickness Of A Thin Liquid Film Draining Under Gravity, Charles L. Adler, James A. Lock, Ian P. Rafferty, Wayne Hickok
Twin-Rainbow Metrology. I. Measurement Of The Thickness Of A Thin Liquid Film Draining Under Gravity, Charles L. Adler, James A. Lock, Ian P. Rafferty, Wayne Hickok
Physics Faculty Publications
We describe twin-rainbow metrology, a new optical technique used to measure the thickness of thin films in a cylindrical geometry. We also present an application of the technique: measurement of the thickness of a Newtonian fluid draining under gravity. We compare these measurements with fluid mechanics models. (C) 2003 Optical Society of America.
Mode Structure Of Diffusive Transport In Hydroxypropylcellulose:Water, George D.J. Phillies, Robert O. Connell, Paul Whitford, Kiril A. Streletzky
Mode Structure Of Diffusive Transport In Hydroxypropylcellulose:Water, George D.J. Phillies, Robert O. Connell, Paul Whitford, Kiril A. Streletzky
Physics Faculty Publications
A systematic analysis of the mode structure of diffusive relaxations in 1 MDa hydroxypropylcellulose(HPC):water is presented. New methods and data include (1) use of integral spectral moments to characterize nonexponential decays, (2) spectra of small probes in concentrated HPC solutions, (3) temperature dependence of the mode structure, and (4) comparison of optical probe spectra and spectra of probe-free polymer solutions. We find that (1) probe and polymer relaxations are in general not the same; (2) the apparent viscometric crossover near ct≈6 g/l is echoed by probe behavior; (3) our HPC solutions have a characteristic dynamic length, namely the 50 nm …
Evidence Of The Zn Vacancy Acting As The Dominant Acceptor In N-Type Zno, F. Tuomisto, V. Ranki, K. Saarinen, David C. Look
Evidence Of The Zn Vacancy Acting As The Dominant Acceptor In N-Type Zno, F. Tuomisto, V. Ranki, K. Saarinen, David C. Look
Physics Faculty Publications
We have used positron annihilation spectroscopy to determine the nature and the concentrations of the open volume defects in as-grown and electron irradiated (Eel=2 MeV, fluence 6×1017 cm-2) ZnO samples. The Zn vacancies are identified at concentrations of [VZn]≃2×1015 cm-3 in the as-grown material and [VZn]≃2×1016 cm-3 in the irradiated ZnO. These concentrations are in very good agreement with the total acceptor density determined by temperature dependent Hall experiments. Thus, the Zn vacancies are dominant acceptors in both as-grown and irradiated ZnO.
Remote Hydrogen Plasma Processing Of Zno Single Crystal Surfaces, Yuri M. Strzhemechny, John Nemergut, Phillip E. Smith, Junjik Bae, David C. Look, Leonard J. Brillson
Remote Hydrogen Plasma Processing Of Zno Single Crystal Surfaces, Yuri M. Strzhemechny, John Nemergut, Phillip E. Smith, Junjik Bae, David C. Look, Leonard J. Brillson
Physics Faculty Publications
We have studied the effects of remote hydrogen plasma treatment on the defect characteristics in single crystal ZnO. Temperature-dependent (9–300 K) and excitation intensity-dependent photoluminescence spectra reveal that H-plasma exposure of ZnO effectively suppresses the free-exciton transition and redistributes intensities in the bound-exciton line set and two-electron satellites with their phonon replicas. The resultant spectra after hydrogenation exhibit a relative increase in intensity of the I4 (3.363 eV) peak, thought to be related to a neutral donor bound exciton, and a peak feature at 3.366 eV with a distinctly small thermal activation energy. Hydrogenation also produces a violet 100 …
On The Nitrogen Vacancy In Gan, David C. Look, Gary C. Farlow, P. J. Drevinsky, D. F. Bliss, J. R. Sizelove
On The Nitrogen Vacancy In Gan, David C. Look, Gary C. Farlow, P. J. Drevinsky, D. F. Bliss, J. R. Sizelove
Physics Faculty Publications
The dominant electrically active defect produced by 0.42 MeV electron irradiation in GaN is a 70 meV donor. Since only N-sublattice displacements can be produced at this energy, and since theory predicts that the N interstitial is a deep acceptor in n-type GaN, we argue that the 70 meV donor is most likely the isolated N vacancy. The background shallow donors, in the 24–26 meV range, actually decrease in concentration, probably due to interactions with mobile N interstitials that are produced by the irradiation. Thus, the recent assignment of a photoluminescence (PL) line as an exciton bound to a …
Observation Of 430 Nm Electroluminescence From Zno/Gan Heterojunction Light-Emitting Diodes, Ya I. Alivov, J. E. Van Nostrand, David C. Look, M. V. Chukichev, B. M. Ataev
Observation Of 430 Nm Electroluminescence From Zno/Gan Heterojunction Light-Emitting Diodes, Ya I. Alivov, J. E. Van Nostrand, David C. Look, M. V. Chukichev, B. M. Ataev
Physics Faculty Publications
In this work, we report on the growth, fabrication, and device characterization of wide-band-gap heterojunction light-emitting diodes based on the n-ZnO/p-GaN material system. The layer structure is achieved by first growing a Mg-doped GaN film of thickness 1 μm on Al2O3(0001) by molecular-beam epitaxy, then by growing Ga-doped ZnO film of thickness 1 μm by chemical vapor deposition on the p-GaN layer. Room-temperature electroluminescence in the blue-violet region with peak wavelength 430 nm is observed from this structure under forward bias. Light–current characteristics of these light-emitting diodes are reported, and a superlinear …
Dielectric Permittivity And Electric Modulus In Bi2ti4o11, Jianjun Liu, Chun-Gang Duan, Wei-Guo Yin, Wai-Ning Mei, Robert W. Smith, John R. Hardy
Dielectric Permittivity And Electric Modulus In Bi2ti4o11, Jianjun Liu, Chun-Gang Duan, Wei-Guo Yin, Wai-Ning Mei, Robert W. Smith, John R. Hardy
Physics Faculty Publications
Frequency and temperature dependences of dielectric permittivity and electric modulus of pure and Ba-doped Bi2Ti4O11 were studied in the ranges of 1021–106 Hz and 2150–350 °C, respectively. We found that the antiferroelectric phase transition temperature of Bi2Ti4O11 decreases with Ba doping. In the permittivity studies, we also observed dielectric relaxation peaks shift to higher temperature with increasing frequency. Furthermore, in the electric modulus formalism, conducting peaks were uncovered above 150 °C in addition to the dielectric relaxation peak. We discussed the mechanisms for the dielectric relaxation and conduction processes based on TiO6 octahedra distortion and a space-charge model.
Frequency Scanned Interferometer Demonstration System, Tim Blass, Jason A. Deibel, Sven Nyberg, Keith Riles, Haijun Yang
Frequency Scanned Interferometer Demonstration System, Tim Blass, Jason A. Deibel, Sven Nyberg, Keith Riles, Haijun Yang
Physics Faculty Publications
No abstract provided.
Entropic Characterization Of Distributive Mixing In Polymer Processing Equipment, Winston Wang, Ica Manas Zloczower, Miron Kaufman
Entropic Characterization Of Distributive Mixing In Polymer Processing Equipment, Winston Wang, Ica Manas Zloczower, Miron Kaufman
Physics Faculty Publications
Mixing is an integral component of most polymer processing operations as material properties are highly influenced by the quality of mixing. The degree of distributive mixing (system homogeneity) is assessed by calculating the evolution of Renyi relative entropies for the minor component along a continuous processing equipment. The Renyi entropy involves a β parameter, which represents weighting given to the concentration of the minor component in small, localized regions. Different aspects of mixing can thus be analyzed, from the amount of void spaces to the concentration of the region where mixing is the worst in terms of the minor component. …
Effect Of H-2 On The Martian Ionosphere: Implications For Atmospheric Evolution, Jane L. Fox
Effect Of H-2 On The Martian Ionosphere: Implications For Atmospheric Evolution, Jane L. Fox
Physics Faculty Publications
Because H2 reacts efficiently with O+, CO2 +, CO+, and N2 +, the molecular hydrogen abundance assumed in models of the Martian ionosphere greatly affects the high altitude density profiles of these ions. We have found that models of the low solar activity Martian ionosphere exhibit much smaller O+ densities than the measured values if the adopted H2 abundance is of the order of 40 ppm, the value proposed in a 1998 model of the Martian atmosphere. For a model based on the recently measured H2 abundance of …
Use Of Optical Tweezers For Colloid Science, Andrew Resnick
Use Of Optical Tweezers For Colloid Science, Andrew Resnick
Physics Faculty Publications
A space-borne optical tweezer apparatus for use with colloidal crystallization experiments has been characterized. The trapping force has been measured as a function of index mismatch between colloidal microspheres and the surrounding fluid and as a function of particle size. This work also presents a method to determine the refractive index of a colloidal microsphere, which is then used to calculate the applied trapping force for the case of an arbitrary background fluid. This is useful for work with dense colloidal suspensions when the usual (e.g., Stokes flow) trap force measurement methods do not apply, as well as microrheological studies …
Ga Vacancies As Dominant Intrinsic Acceptors In Gan Grown By Hydride Vapor Phase Epitaxy, J. Oila, J. Kivioja, V. Ranki, K. Saarinen, David C. Look, Richard J. Molnar, S. S. Park, S. K. Lee, J. Y. Han
Ga Vacancies As Dominant Intrinsic Acceptors In Gan Grown By Hydride Vapor Phase Epitaxy, J. Oila, J. Kivioja, V. Ranki, K. Saarinen, David C. Look, Richard J. Molnar, S. S. Park, S. K. Lee, J. Y. Han
Physics Faculty Publications
Positron annihilation measurements show that negative Ga vacancies are the dominant acceptors in n-type gallium nitride grown by hydride vapor phase epitaxy. The concentration of Ga vacancies decreases, from more than 1019 to below 1016 cm−3, as the distance from the interface region increases from 1 to 300 μm. These concentrations are the same as the total acceptor densities determined in Hall experiments. The depth profile of O is similar to that of VGa, suggesting that the Ga vacancies are complexed with the oxygen impurities.
Small Angle Neutron Scattering From D2o–H2o Nanodroplets And Binary Nucleation Rates In A Supersonic Nozzle, Christopher H. Heath, Kiril A. Streletzky, Barbara E. Wyslouzil, Judith Woelk, Reinhard Strey
Small Angle Neutron Scattering From D2o–H2o Nanodroplets And Binary Nucleation Rates In A Supersonic Nozzle, Christopher H. Heath, Kiril A. Streletzky, Barbara E. Wyslouzil, Judith Woelk, Reinhard Strey
Physics Faculty Publications
Small angle neutron scattering (SANS) experiments were used to characterize binary nanodroplets composed of D2O and H2O. The droplets were formed by expanding dilute mixtures of condensible vapor in a N2 carrier gas through a supersonic nozzle, while maintaining the onset of condensation at a fixed position in the nozzle. It is remarkable, given the small coherent scattering length density of light water, that even the pure H2O aerosol gave a scattering signal above background. The scattering spectra were analyzed assuming a log-normal distribution of droplets. On average, the geometric radius of the nanodroplets rg was rg=13 (±1) nm, the …
Plasma-Etching-Enhanced Deep Centers In N-Gan Grown By Metalorganic Chemical-Vapor Deposition, Z-Q. Fang, David C. Look, X. L. Wang, J. Han, F. A. Khan, I. Adesida
Plasma-Etching-Enhanced Deep Centers In N-Gan Grown By Metalorganic Chemical-Vapor Deposition, Z-Q. Fang, David C. Look, X. L. Wang, J. Han, F. A. Khan, I. Adesida
Physics Faculty Publications
By using deep-level transient spectroscopy (DLTS), deep centers have been characterized in unintentionally doped n-GaN samples grown by metalorganic chemical-vapor deposition and subjected to inductively coupled plasma reactive ion etching. At least six DLTS traps exist in the control sample: A1 (∼0.90 eV), Ax (∼0.72 eV), B (0.61 eV), C1 (0.44 eV), D (0.25 eV), and E1 (0.17 eV), with B dominant. Then, as the etching bias-voltage increases from −50 to −150 V, trap D increases strongly and becomes dominant, while traps A1, C (0.34 eV), and E1 increase at a slower …
Role Of The Tunneling Ray In Near-Critical-Angle Scattering By A Dielectric Sphere, James A. Lock
Role Of The Tunneling Ray In Near-Critical-Angle Scattering By A Dielectric Sphere, James A. Lock
Physics Faculty Publications
The scattering far zone for light transmitted through a sphere following p - 1 internal reflections by a family of near-grazing incident rays is subdivided into a lit region and a shadow region. The sharpness of the ray theory transition between the lit and the shadow regions is smoothed in wave theory by radiation shed by electromagnetic surface waves. It is shown that when higher-order terms in the physical optics approximation to the phase of the partial-wave scattering amplitudes are included, the transition between the lit and the shadow regions becomes a two-ray-to-zero-ray transition, called a superweak caustic in analogy …
Detection Sensitivity Optimization Of Optical Signals Generated By Fiber Optic Bragg Gratings Under Dynamic Excitation, John Lekki, James A. Lock
Detection Sensitivity Optimization Of Optical Signals Generated By Fiber Optic Bragg Gratings Under Dynamic Excitation, John Lekki, James A. Lock
Physics Faculty Publications
The dynamic response of a fiber optic Bragg grating to mechanical vibrations is examined both theoretically and experimentally. The theoretical expressions describing the consequences of changes in the grating's reflection spectrum are derived for partially coherent beams in an interferometer. The analysis is given in terms of the dominant wavelength, optical bandwidth, and optical path difference of the interfering signals. Changes in the reflection spectrum caused by a periodic stretching and compression of the grating are experimentally measured using an unbalanced Michelson interferometer, a Michelson interferometer with a nonzero optical path difference. The interferometer's sensitivity to changes in the dominant …
Analysis Of The Shadow-Sausage Effect Caustic, James A. Lock, Charles L. Adler, Diana Ekelman, Jonathan Mulholland, Brian Keating
Analysis Of The Shadow-Sausage Effect Caustic, James A. Lock, Charles L. Adler, Diana Ekelman, Jonathan Mulholland, Brian Keating
Physics Faculty Publications
We analyze the optical caustic produced by light refracted at the curved meniscus surrounding a cylindrical rod standing partially out of a liquid-filled container. When the rod is tilted from the vertical or when light is diagonally incident, the caustic is a four-cusped astroid with two of its cusps obscured by the rod's shadow. If a portion of the flat end of the rod is raised above the water level, the caustic evolves into a pattern of five interlocking cusps. The five cusps result from symmetry breaking of a three-cusped surface perturbation caustic. (C) 2003 Optical Society of America.
Simulating Coronas In Color, Stanley D. Gedzelman, James A. Lock
Simulating Coronas In Color, Stanley D. Gedzelman, James A. Lock
Physics Faculty Publications
Coronas are simulated in color by use of the Mie scattering theory of light by small droplets through clouds of finite optical thickness embedded in a Rayleigh scattering atmosphere. The primary factors that affect color, visibility, and number of rings of coronas are droplet size, width of the size distribution, and cloud optical thickness. The color sequence of coronas and iridescence varies when the droplet radius is smaller than similar to6-mum. As radius increases to approximately 3.5 mum, new color bands appear at the center of the corona and fade as they move outward. As the radius continues to increase …
Light And Color In The Open Air: Introduction To The Feature Issue, Charles L. Adler, James A. Lock
Light And Color In The Open Air: Introduction To The Feature Issue, Charles L. Adler, James A. Lock
Physics Faculty Publications
This special feature of Applied Optics reports the results of new experimental and theoretical research concerning a number of naked-eye optical phenomena, including ice-crystal halo displays, mirages, rainbows, glories, optical caustics, clear-sky phenomena, cloud coronas, cloud iridescence, and the extinction of skylight. (C) 2003 Optical Society of America.
Experimental Observation Of Total-Internal-Reflection Rainbows, Charles L. Adler, James A. Lock, Jonathon Mulholland, Brian Keating, Diana Ekelman
Experimental Observation Of Total-Internal-Reflection Rainbows, Charles L. Adler, James A. Lock, Jonathon Mulholland, Brian Keating, Diana Ekelman
Physics Faculty Publications
A new class of rainbows is created when a droplet is illuminated from the inside by a point light source. The position of the rainbow depends on both the index of refraction of the droplet and the position of the light source, and the rainbow vanishes when the point source is too close to the center of the droplet. Here we experimentally measure the position of the transmission and one-internal-reflection total-internal-reflection rainbows, and the standard (primary) rainbow, as a function of light-source position. (C) 2003 Optical Society of America.
Ultrafine Nife2o4 Powder Fabricated From Reverse Microemulsion Process, Jiye Fang, Narayan Shama, Le Duc Tung, Eun Young Shin, Charles J. O'Connor, Kevin L. Stokes, Gabriel Caruntu, John B. Wiley, Leonard Spinu, Jinke Tang
Ultrafine Nife2o4 Powder Fabricated From Reverse Microemulsion Process, Jiye Fang, Narayan Shama, Le Duc Tung, Eun Young Shin, Charles J. O'Connor, Kevin L. Stokes, Gabriel Caruntu, John B. Wiley, Leonard Spinu, Jinke Tang
Physics Faculty Publications
NiFe2O4 ultrafine powder with high crystallinity has been prepared through a reverse microemulsion route. The composition in starting solution was optimized, and the resulting NiFe2O4 was formed at temperature of around 550–600 °C, which is much lower than that observed from the solid-state reaction. Magnetic investigation indicates that samples are soft-magnetic materials with low coercivity and with the saturation magnetization close to the bulk value of Ni ferrite.
Self-Assembly Of Fept Nanoparticles Into Nanorings, Weilie L. Zhou, Jibao He, Jiye Fang, Tuyet-Anh Huynh, Trevor J. Kennedy, Kevin L. Stokes, Charles J. O'Connor
Self-Assembly Of Fept Nanoparticles Into Nanorings, Weilie L. Zhou, Jibao He, Jiye Fang, Tuyet-Anh Huynh, Trevor J. Kennedy, Kevin L. Stokes, Charles J. O'Connor
Physics Faculty Publications
The application of nanoparticles as quantum dots in nanoelectronics demands their arrangement in ordered arrays. Shape controlled self-assembly is a challenge due to the difficulties of obtaining proper self-assembling parameters, such as solvent concentration, organic ligands, and nanoparticle size. In this article, hard magnetic FePt nanoparticles were synthesized using a combination approach of reduction and thermal decomposition. The nanoparticles are about 4.5 nm and appeared as truncated octahedral enclosed by the
{100} and {111}
crystal facets of fcc structure. The nanoparticles are of hexagonal close packing and orient randomly in the self-assembly nanoarrays. By diluting the solution for large-area self-assembly, …
Mim And Nonlinear Least-Squares Inversions Of Aem Data In Barataria Basin, Louisiana, Melissa Whitten Bryan, Kenneth W. Holladay, Clyde J. Bergeron Jr., Juliette W. Ioup, George E. Ioup
Mim And Nonlinear Least-Squares Inversions Of Aem Data In Barataria Basin, Louisiana, Melissa Whitten Bryan, Kenneth W. Holladay, Clyde J. Bergeron Jr., Juliette W. Ioup, George E. Ioup
Physics Faculty Publications
An airborne electromagnetic survey was performed over the marsh and estuarine waters of the Barataria basin of Louisiana. Two inversion methods were applied to the measured data to calculate layer thicknesses and conductivities: the modified image method (MIM) and a nonlinear least-squares method of inversion using two two-layer forward models and one three-layer forward model, with results generally in good agreement. Uniform horizontal water layers in the near-shore Gulf of Mexico with the fresher (less saline, less conductive) water above the saltier (more saline, more conductive) water can be seen clearly. More complex near-surface layering showing decreasing salinity/conductivity with depth …
Kerr-Resonance-Condition-Coupled Enhancement In Magneto-Optic Media, A. De, A. Puri
Kerr-Resonance-Condition-Coupled Enhancement In Magneto-Optic Media, A. De, A. Puri
Physics Faculty Publications
We derive an expression for cyclotron frequency ωc, which sets Re[ϵ+ϵ−]=1 in a magneto-optic (MO) substrate, at any incident photon energy. Thereby, at any desired part of the optical spectrum, large Kerr effects can be obtained, which are generally known to occur either at the free-charge-carrier-plasma-resonance frequency ωp, or at frequencies where active electronic transitions take place. Under these conditions, ωp is seen to play a very different role; it is seen that for any ω, the magnitude of the Kerr resonance in a single MO (InSb here) substrate increases …
Spectral Functions Of The Falicov-Kimball Model With Electronic Ferroelectricity, Wei-Guo Yin, Wai-Ning Mei, Chun-Gang Duan, Hai-Qing Lin, John R. Hardy
Spectral Functions Of The Falicov-Kimball Model With Electronic Ferroelectricity, Wei-Guo Yin, Wai-Ning Mei, Chun-Gang Duan, Hai-Qing Lin, John R. Hardy
Physics Faculty Publications
We calculate the angular resolved photoemission spectrum of the Falicov-Kimball model with electronic ferroelectricity where d- and f-electrons have different hoppings. In mix-valence regimes, the presence of strong scattering processes between d – f excitons and a hole, created by emission of an electron, leads to the formation of pseudospin polarons and novel electronic structures with bandwidth scaling with that of d – f excitons. Especially, in the two-dimensional case, we find that flat regions exist near the bottom of the quasiparticle band in a wide range of the d- and f-level energy difference.
Hydrogen Incorporation And Diffusivity In Plasma-Exposed Bulk Zno, K. Ip, M. E. Overberg, Y. W. Heo, D. P. Norton, S. J. Pearton, C. E. Stutz, B. Luo, F. Ren, David C. Look, J. M. Zavada
Hydrogen Incorporation And Diffusivity In Plasma-Exposed Bulk Zno, K. Ip, M. E. Overberg, Y. W. Heo, D. P. Norton, S. J. Pearton, C. E. Stutz, B. Luo, F. Ren, David C. Look, J. M. Zavada
Physics Faculty Publications
Hydrogen incorporation depths of >25 μm were obtained in bulk, single-crystal ZnO during exposure to 2H plasmas for 0.5 h at 300 °C, producing an estimated diffusivity of ∼ 8×10−10 cm2/V⋅s at this temperature. The activation energy for diffusion was 0.17±0.12 eV, indicating an interstitial mechanism. Subsequent annealing at 500–600 °C was sufficient to evolve all of the hydrogen out of the ZnO, at least to the sensitivity of secondary ion mass spectrometry (<5×1015 cm−3). The thermal stability of hydrogen retention is slightly greater when the hydrogen is incorporated by direct implantation …5×10
Molecular Dynamics Simulation Of The Order- Disorder Phase Transition In Solid Nano2, Wei-Guo Yin, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, Robert W. Smith, John R. Hardy
Molecular Dynamics Simulation Of The Order- Disorder Phase Transition In Solid Nano2, Wei-Guo Yin, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, Robert W. Smith, John R. Hardy
Physics Faculty Publications
We present molecular dynamics simulations of solid NaNO2 using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an a priori method which integrates the ab initio calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the ab initio Hartree-Fock calculations. Our numerics show that the ferroelectric-paraelectric phase transition in solid NaNO2 is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent x-ray experiments @Gohda et al., …
Comparison Of The Theoretical And Experimental Band Structure Of Poly (Vinylidene Fluoride) Crystal, Chun-Gang Duan, Wai-Ning Mei, John R. Hardy, Stephen Ducharme, Jaewu Choi, Peter A. Dowben
Comparison Of The Theoretical And Experimental Band Structure Of Poly (Vinylidene Fluoride) Crystal, Chun-Gang Duan, Wai-Ning Mei, John R. Hardy, Stephen Ducharme, Jaewu Choi, Peter A. Dowben
Physics Faculty Publications
The electronic structure and band symmetries of the ferroelectric phase of poly (vinylidene fluoride) (PVDF) are studied by using the first-principles density-functional method. Our calculated results agree well with the angle-resolved photoemission experiments. We find that the PVDF crystal has an energy gap of about 6 eV at the Γ-point. Large dispersion of the valence band is found only along the chain direction, which is consistent with the quasi-one-dimensional nature of PVDF. In particular, the band symmetries of the valence states deduced theoretically are in good agreement with experiment. Finally, further investigations on the electronic structure of poly(trifluoroethylene) (PTrFE) …