Physics Commons^™

Laboratory Experiments As Support To The Built Up Of Titan’S Theoretical Models And Interpretation Of Cassini-Huygens Data, M-C. Gazeau, Y Benilan, Et. Es-Sebbar, T. Ferradaz, E. Hébrard, A. Jolly, F. Raulin, C. Romanzin, J-C. Guillemin, C. Berteloite, A. Canosa, S. D. Le Picard, Ian R. Sims

Dr. Et-touhami Es-sebbar

No abstract provided.

Grain Growth And Texture Development In Lithium Fluoride Thin Films, Hakkwan Kim, Alexander H. King

Alexander H. King

We have studied grain-growth and texture development in polycrystalline lithium fluoride thin films using dark-field transmission electron microscopy. We demonstrate that we can isolate the size distribution of 〈111〉 surface normal grains from the overall size distribution, based on simple and plausible assumptions about the texture. The {111} texture formation and surface morphology were also observed by x-ray diffraction and atomic force microscopy, respectively. The grain-size distributions become clearly bimodal as the annealing time increases, and we deduce that the short-time size distributions are also a sum of two overlapping peaks. The smaller grain-size peak in the distribution corresponds to …

Modeling Of Dispersed Phase By Lagrangian Approach In Fluent - 2d Exercise, Kari Myöhänen

Kari Myöhänen

This shows an example calculation applying DPM model in Fluent. This is related to the other DPM presentation and was prepared for the course 'Theory and simulation of dispersed-phase multiphase flows" by Dr. Payman Jalali, Lappeenranta University of Technology.

Modeling Of Dispersed Phase By Lagrangian Approach In Fluent, Kari Myöhänen

Kari Myöhänen

This is a seminar work prepared for a course 'Theory and simulation of dispersed-phase multiphase flows' by Dr. Payman Jalali, Lappeenranta University of Technology

Direct Observation Of H2 Binding To A Metal Oxide Surface, J. Z. Larese, T. Arnold, L. Frazier, R. J. Hinde, A. J. Ramirez-Cuesta

Robert Hinde

Inelastic neutron scattering is used to probe the dynamical response of H₂ films adsorbed on MgO(100) as a function of film thickness. Concomitant diffraction measurements and a reduced-dimensionality quantum dynamical model provide insight into the molecule-surface interaction potential. At monolayer thickness, the rotational motion is strongly influenced by the surface, so that the molecules behave like quasiplanar rotors. These findings have a direct impact on understanding how molecular hydrogen binds to the surface of materials used in catalytic and storage applications.

Generation Of Laser-Polarized Xenon Using Fiber-Coupled Laser-Diode Arrays Narrowed With Integrated Volume Holographic Gratings, Panayiotis Nikolaou, Nicholas Whiting, Neil A. Eschmann, Kathleen E. Chaffee, Michael J. Barlow, Boyd M. Goodson

Nicholas Whiting

Posterminaries: More Or Less Modern, Alexander H. King

Alexander H. King

It is yet another sign that I am aging. More and more often when young researchers hand me a written report of their research, I find myself criticizing their introductory section: “You need to start your literature survey with the original papers on this topic. Go and read…” followed by a citation to some classic of the learned literature.

Control Of Porosity In Fluoride Thin Films Prepared By Vapor Deposition, Alexander H. King

Alexander H. King

We have measured the porosity in thin films of lithium fluoride (LiF), magnesium fluoride (MgF2), barium fluoride (BaF2), and calcium fluoride (CaF2) as a function of the substrate temperature for films deposited by thermal evaporation onto glass substrates. The amount of porosity in the thin films was measured using an atomic force microscope and a quartz crystal thickness monitor. The porosity was very sensitive to the substrate temperature and decreased as the substrate temperature increased. Consistent behavior was observed among all of the materials in this study.

Posterminaries: Full Circle, Alexander H. King

Alexander H. King

A few years ago, I was walking near the old Union Station in Pittsburgh with a colleague only slightly younger than myself, when we happened upon some large-scale relics of the steel industry displayed for public viewing. “You don’t see too many of those in public parking lots,” I offered. “Um… what is it?” was the response. I suppose I was just a little surprised that a prominent materials scientist did not recognize a Bessemer converter—arguably the principal source of wealth during the U.S. industrial revolution—but this conversation took place back when steel was in decline, and many university Materials …

Thermal Effects On Mechanical Grinding-Induced Surface Texture In Tetragonal Piezoelectrics, Wonyoung Chang, Alexander H. King, Keith J. Bowman

Alexander H. King

The effect of temperature on grinding-induced texture in tetragonal lead zirconate titanate (PZT) and lead titanate (PT) has been investigated using in situ x-ray diffraction (XRD) with an area detector. In contrast with previous results on electrical poling, mechanically-ground PT and soft PZT materials retain strong ferroelastic textures during thermal cycling, even after excursions to temperatures slightly above the Curie temperature. The relationship between the residual stresses in the surface region, caused by grinding, and those resulting from domain wall motion is elucidated by in situ texture measurements obtained during thermal cycling.

How Surface Stresses Lead To Size-Dependent Mechanics Of Tensile Deformation In Nanowires, M. Ravi Shankar, Alexander H. King

Alexander H. King

It has been proposed that surface and interface stresses can modify the elastic behavior in nanomaterials such as nanowires. The authors show that surface stresses modify the tensile response of nanowires only when nonlinear elastic effects become important leading to cross terms between the applied stress and the surface stress. These effects are only significant when the radius of the nanowire is of the order of a few nanometers. The resulting alteration of tensile stiffness, though effected in part by the nonlinear elastic modulus, is particularly wrought by a modification of the stress state in the deformed nanowire.

Posterminaries: After Nabarro, Alexander H. King

Alexander H. King

With the passing of Frank Nabarro in July of this year, we have lost one of the founding fathers of materials science. His name appears in many of the textbooks from which we train our students today, and also on the spines of several volumes on dislocation theory, including his classic monograph on the subject. He rightly stands among the gods of our field. Ninety years old at his death, he was a sprightly dancer at the frontiers of knowledge, right up to the end.

Posterminaries: The Scales Of Judgement, Alexander H. King

Alexander H. King

Materials scientists are generally well-versed in physics, and physics, above all, is a science of measurements. The first instinct of a physicist is to parse a problem in terms of its measurables in the dimensions of mass, length, and time, and it is the shifting of attention down the scale of length that particularly characterizes our present times as the Nano Age.

Posterminaries: Plain Text, Alexander H. King

Alexander H. King

You just can’t win an argument with an English professor.

Thermal Effects On Domain Orientation Of Tetragonal Piezoelectrics Studied By In Situ X-Ray Diffraction, Wonyoung Chang, Alexander H. King, Keith J. Bowman

Alexander H. King

Thermal effects on domain orientation in tetragonal lead zirconate titanate (PZT) and lead titanate (PT) have been investigated by using in situ x-ray diffraction with an area detector. In the case of a soft PZT, it is found that the texture parameter called multiples of a random distribution (MRD) initially increases with temperature up to approximately 100 °C and then falls to unity at temperatures approaching the Curie temperature, whereas the MRD of hard PZT and PT initially undergoes a smaller increase or no change. The relationship between the mechanical strain energy and domain wall mobility with temperature is discussed.

Interaction-Induced Dipole Moment Of The Ar–H2 Dimer: Dependence On The H2 Bond Length, Robert J. Hinde

Robert Hinde

We present ab initio calculations of the interaction-induced dipole moment of the Ar–H₂ van der Waals dimer. The primary focus of our calculations is on the H₂ bond length dependence of the dipole moment, which determines the intensities of both the collision-induced H₂ = 1 ← 0 fundamental band in gaseous Ar–H₂ mixtures and the dopant-induced H₂ = 1 ← 0 absorption feature in Ar-doped solid H₂ matrices. Our calculations employ large atom-centered basis sets, diffuse bond functions positioned between the two monomers, and a coupled cluster treatment of valence electron correlation; core-valence correlation …

Population Size Bias In Descendant-Weighted Diffusion Quantum Monte Carlo Simulations, G. Lee Warren, Robert Hinde

Robert Hinde

We consider the influence of population size on the accuracy of diffusion quantum Monte Carlo simulations that employ descendant weighting or forward walking techniques to compute expectation values of observables that do not commute with the Hamiltonian. We show that for a simple model system, the d-dimensional isotropic harmonic oscillator, the population size must increase rapidly with d in order to ensure that the simulations produce accurate results. When the population size is too small, expectation values computed using descendant-weighted diffusion quantum Monte Carlo simulations exhibit significant systematic biases.

Characterization Of Violet Emission From Rb Optical Pumping Cells Used In Laser-Polarized Xenon Nmr Experiments, Indrajit Saha, Panayiotis Nikolaou, Nicholas Whiting, Boyd M. Goodson

Nicholas Whiting

Size-Driven Domain Reorientation In Hydrothermally Derived Lead Titanate Nanoparticles, Zhiyuan Ye, Elliot B. Slamovich, Alexander H. King

Alexander H. King

High-resolution transmission electron microscopy studies of hydrothermally derived platelike lead titanate nanoparticles reveal that below a critical size of approximately 70 nm, the single ferroelectric domain polarization axis reorients from perpendicular to parallel to the plate. We suggest that during particle growth, ions in the hydrothermal processing medium compensate for the ferroelectric depolarization energy. When the processing medium is removed by washing and drying, single domain nanoparticles minimize their depolarization energy by c-axis flipping.

Mechanism Of Structural Transformation In Bismuth Titanate, Sudhanshu Mallick, Keith J. Bowman, Alexander H. King

Alexander H. King

Sodium-doped bismuth titanate undergoes a transformation from Bi4Ti3O12 to Na0.5Bi4.5Ti4O15 on heating in air at temperatures exceeding 800 °C. This transformation proceeds through the intermediate Na0.5Bi8.5Ti7O27 structure which is an intergrowth phase of the two. High-resolution transmission electron microscopy was used to study this transformation. From the Moiré pattern that was obtained, the crystallographic orientation of the transformation front has been determined and a mechanism is proposed for this structural transformation.

Dislocation-Indenter Interaction In Nanoindentation, M. Ravi Shankar, Alexander H. King, Srinivasan Chandrasekar

Alexander H. King

A formulation of dislocation-indenter interaction in two-dimensional, isotropic elasticity is presented. A significant dislocation-indenter interaction is predicted when dislocations are nucleated very close to the indenter. This interaction is expected to have an important influence on dislocation motion and multiplication. Upon nucleation close to the indenter, the dislocations are shown to modify the load, load distribution, and moment acting on the indenter. This effect is seen to vary with the indentation contact length. Further away from the indenter, the indenter-dislocation interaction is shown to be negligible.

Vibrational Dependence Of The H2–H2 C6 Coefficients, Robert Hinde

Robert Hinde

We use the sum-over-states formalism to compute the imaginary-frequency dipole polarizabilities for H₂, as a function of the H–H bond length, at the full configuration interaction level of theory using atom-centered d-aug-cc-pVQZ basis sets. From these polarizabilities, we obtain isotropic and anisotropic C₆ dispersion coefficients for a pair of H₂ molecules as functions of the two molecules’ bond lengths.

Interactions Between Xenon And Phospholipid Bicelles Studied By 2h/129xe/131xe Nmr And Optical Pumping Of Nuclear Spins, Xiaoxia Li, Caitlin Newberry, Indrajit Saha, Panayiotis Nikolaou, Nicholas Whiting, Boyd M. Goodson

Nicholas Whiting

Infrared Laser Spectroscopy Of Jet Cooled Cobalt Tricarbonyl, Kyle Trauth, William A. Burns, Ginger Berry, Scott Reeve

Scott Reeve

No abstract provided.

Infrared-Active Vibron Bands Associated With Substitutional Impurities In Solid Parahydrogen, Robert Hinde

Robert Hinde

We present a model for the line shapes of infrared-active Q₁(0) vibron bands observed in solid parahydrogen doped with low concentrations of spherical substitutional impurities. The line shapes are highly sensitive to the H₂ vibrational dependence of the dopant–H₂ interaction. When this vibrational dependence is strong, the dopant can trap the infrared-active vibron in its first solvation shell; in this case, the trapped vibron manifests itself in the absorption spectrum as a narrow feature to the red of the pure solid’s vibron band.

Low-Cost Manufacturing Process For Nanostructured Metals And Alloys, Travis L. Brown, Srinivasan Swaminathan, Srinivasan Chandrasekar, W. Dale Compton, Alexander H. King, Kevin P. Trumble

Alexander H. King

In spite of their interesting properties, nanostructured materials have found limited uses because of the cost of preparation and the limited range of materials that can be synthesized. It has been shown that most of these limitations can be overcome by subjecting a material to large-scale deformation, as occurs during common machining operations. The chips produced during lathe machining of a variety of pure metals, steels, and other alloys are shown to be nanostructured with grain (crystal) sizes between 100 and 800 nm. The hardness of the chips is found to be significantly greater than that of the bulk material.

Propagating Conformational Changes Over Long (And Short) Distances In Proteins, Edward Yu, Daniel E. Koshland Jr.

Edward Yu

The problem of the propagation of conformational changes over long distances or through a closely packed protein is shown to fit a model of a ligand-induced conformational change between two protein states selected by evolution. Moreover, the kinetics of the pathway between these states is also selected so that the energy of ligand binding and the speed of the transition between conformational states are physiologically appropriate. The crystallographic data of a wild-type aspartate receptor that has negative cooperativity and a mutant that has no cooperativity but has native transmembrane signaling are shown to support this model.

Behavior Of Grain Boundary Resistivity In Metals Predicted By A Two-Dimensional Model, Rand Dannenberg, Alexander H. King

Alexander H. King

The behavior of a model for the specific grain boundary resistivity in metallic bamboo conductor lines is developed and compared to other theoretical treatments, and to experiment. The grain boundary is modeled as an array of scatterers on a plane. The scatterers are called “vacancy-ion” complexes, in which the vacancy represents the boundary free volume, and the ion is an atom adjacent to the vacancy. Three cases are investigated, that of noninterfering scatterers, a continuum of interfering scatterers, and discrete interfering scatterers. The approximations used lead to a specific grain boundary resistivity ∼10−16 Ω m2 for aluminum, in agreement with …

Novel One-Phase Synthesis Of Thiol-Functionalized Gold, Palladium, And Iridium Nanoparticles Using Superhydride, Chanel K. Yee, Rainer Jordan, Abraham Ulman, Henry White, Alexander H. King, Miriam Rafailovich, Jonathan Sokolov

Alexander H. King

A new, facile, general one-phase synthesis for thiol-functionalized gold, palladium, and iridium nanoparticles, using tetrahydrofuran (THF) as the solvent and lithium triethylborohydride (Superhydride) as the reducing agent, is presented. For octadecanethiol-functionalized gold (Au/ODT) nanoparticles, HRTEM of drop-cast particle-films revealed the formation of spherical particles of d = 4 ± 0.3 nm average size. Electron diffraction shows fcc packing arrangement, similar to that of bulk gold. The crystalline gold cores are surrounded with closely packed n-alkyl chains mainly in an all-trans conformation, adopting orthorhombic packing as confirmed by FTIR spectroscopy. Particles are arranged in a discrete solidlike assembly with a correlation …

Resistivity, Thermopower And The Correlation To Infrared Active Vibrations Of Mn1.56co0.96ni0.48o4 Spinel Films Sputtered In An Oxygen Partial Pressure Series, Rand Dannenberg, S. Baliga, R. J. Gambino, Alexander H. King, A. P. Doctor

Alexander H. King

Mn1.56Co0.96Ni0.48O4 spinel was sputter deposited using a series of oxygen partial pressures. Electrical resistivity versus temperature and thermopower versus temperature measurements at each oxygen partial pressure were made. The variations of the thermopower and resistivity with oxygen partial pressure are consistent with a change in the ratio of Mn3+ to Mn4+ cations, which occurs due to changes of oxygen content of the material. The weak temperature dependence of the thermopower indicates small polaron hopping is the charge transport mechanism. Combining the models of Mott and Schnakenberg to analyze the transport data, we find that the Debye temperature (or frequency) is …