scholarly journals Electron Work Functions of (H K L)-Surfaces of W, Re, and Cu Crystals

2018 ◽  
Vol 36 (2) ◽  
pp. 225-234 ◽  
Author(s):  
S.A. Surma ◽  
J. Brona ◽  
A. Ciszewski
Keyword(s):  
Degrees Of Freedom ◽  
Materials Science ◽  
Core Network ◽  
Free Electrons ◽  
Charge Densities ◽  
Composite Crystal ◽  
Surface Dipole ◽  
Physicochemical Data ◽  
Atom Core ◽  
Good Agreement

Abstract Work function (WF) and some physicochemical data for several most prominent crystal planes of three metals of typical structures are calculated within the linear approximation employing the surface dipole and 2D gas models. “Composite” crystal of a homogeneous bulk phase and a thick surface composed of eight (h k l)-oriented facets with different unsaturated bonds is treated as a nine-phase nine-component system with two degrees of freedom. It contains the two-dimensional metal-lattice plasma of free electrons and the immobile atom-core network. For twenty four (h k l) surfaces, the WF and dipole barrier term, chemical and electrostatic potential levels, electron charge densities, surface dipole fields, and other parameters are calculated and tabularized. WF values obtained from the thermodynamics based formula are compared to the ones obtained from the quantum mechanics based formula, which shows good agreement with experiment and also reveals a specific deviation in the case of field emission method for the most packed plane. A set of accurate face dependent data can be of interest to electronics and materials science workers

scholarly journals Shaping quantum photonic states using free electrons

2021 ◽  
Vol 7 (11) ◽  
pp. eabe4270 ◽  
Author(s):  
A. Ben Hayun ◽  
O. Reinhardt ◽  
J. Nemirovsky ◽  
A. Karnieli ◽  
N. Rivera ◽  
...  
Keyword(s):  
Free Electron ◽  
Degrees Of Freedom ◽  
Free Electrons ◽  
Complete Control ◽  
Fock State ◽  
Judicious Choice ◽  
Electron Microscopes ◽  
Photonic States ◽  
Photonic Cavities ◽  
Electron Interactions

It is a long-standing goal to create light with unique quantum properties such as squeezing and entanglement. We propose the generation of quantum light using free-electron interactions, going beyond their already ubiquitous use in generating classical light. This concept is motivated by developments in electron microscopy, which recently demonstrated quantum free-electron interactions with light in photonic cavities. Such electron microscopes provide platforms for shaping quantum states of light through a judicious choice of the input light and electron states. Specifically, we show how electron energy combs implement photon displacement operations, creating displaced-Fock and displaced-squeezed states. We develop the theory for consecutive electron-cavity interactions with a common cavity and show how to generate any target Fock state. Looking forward, exploiting the degrees of freedom of electrons, light, and their interaction may achieve complete control over the quantum state of the generated light, leading to novel light statistics and correlations.

Estimation of the Thermodynamic Properties of Branched Hydrocarbons

2000 ◽  
Vol 122 (3) ◽  
pp. 147-152 ◽  
Author(s):  
Hui He ◽  
Mohamad Metghalchi ◽  
James C. Keck
Keyword(s):  
Thermodynamic Properties ◽  
Degrees Of Freedom ◽  
Statistical Thermodynamic ◽  
Motion Modes ◽  
Branched Alkanes ◽  
Branched Hydrocarbons ◽  
Wide Range ◽  
On Line ◽  
Kinetic Calculations ◽  
Good Agreement

A simple model has been developed to estimate the sensible thermodynamic properties such as Gibbs free energy, enthalpy, heat capacity, and entropy of hydrocarbons over a wide range of temperatures with special attention to the branched molecules. The model is based on statistical thermodynamic expressions incorporating translational, rotational and vibrational motions of the atoms. A method to determine the number of degrees of freedom for different motion modes (bending and torsion) has been established. Branched rotational groups, such as CH3 and OH, have been considered. A modification of the characteristic temperatures for different motion mode has been made which improves the agreement with the exact values for simple cases. The properties of branched alkanes up to 2,3,4,-trimthylpentane have been calculated and the results are in good agreement with the experimental data. A relatively small number of parameters are needed in this model to estimate the sensible thermodynamic properties of a wide range of species. The model may also be used to estimate the properties of molecules and their isomers, which have not been measured, and is simple enough to be easily programmed as a subroutine for on-line kinetic calculations. [S0195-0738(00)00902-X]

Doppler-Shifted Cyclotron Resonance in Thin Metal Films

1972 ◽  
Vol 50 (18) ◽  
pp. 2122-2137
Author(s):  
R. Turner ◽  
J. F. Cochran
Keyword(s):  
Magnetic Field ◽  
Metal Films ◽  
Thin Metal Film ◽  
Thin Metal ◽  
Free Electrons ◽  
Fermi Surfaces ◽  
First Order ◽  
Simple Quantum ◽  
The Magnetic Field ◽  
Good Agreement

According to Van Gelder the microwave absorption by a thin metal film in the presence of a static magnetic field normal to the film contains a series of peaks as the magnetic field is varied. In the present paper it is argued that these peaks correspond to Doppler-shifted cyclotron resonances of the carriers in the metal due to the quantization of electron momenta normal to the plane of the film. A simple quantum calculation is presented for the case of free electrons where the film is thin enough that to first order the microwave fields within are determined only by the boundary conditions and Maxwell's equations. The quantum expression is in good agreement with the absorption calculated using semiclassical arguments which can be readily extended to more complicated Fermi surfaces.

scholarly journals "Dividing and Conquering" and "Caching" in Molecular Modeling

2021 ◽  
Author(s):  
Xiaoyong Cao ◽  
Pu Tian
Keyword(s):  
Molecular Modeling ◽  
Degrees Of Freedom ◽  
Materials Science ◽  
Force Fields ◽  
Coarse Graining ◽  
Divide And Conquer ◽  
Collective Variables ◽  
Molecular Systems ◽  
State Models ◽  
Molecular Science

Molecular modeling is widely utilized in subjects including but not limited to physics, chemistry, biology, materials science and engineering. Impressive progress has been made in development of theories, algorithms and software packages. To divide and conquer, and to cache intermediate results have been long standing principles in development of algorithms. Not surprisingly, Most of important methodological advancements in more than half century of molecule modeling are various implementations of these two fundamental principles. In the mainstream classical computational molecular science based on force fields parameterization by coarse graining, tremendous efforts have been invested on two lines of algorithm development. The first is coarse graining, which is to represent multiple basic particles in higher resolution modeling as a single larger and softer particle in lower resolution counterpart, with resulting force fields of partial transferability at the expense of some information loss. The second is enhanced sampling, which realizes "dividing and conquering" and/or "caching" in configurational space with focus either on reaction coordinates and collective variables as in metadynamics and related algorithms, or on the transition matrix and state discretization as in Markov state models. For this line of algorithms, spatial resolution is maintained but no transferability is available. Deep learning has been utilized to realize more efficient and accurate ways of "dividing and conquering" and "caching" along these two lines of algorithmic research. We proposed and demonstrated the local free energy landscape approach, a new framework for classical computational molecular science and a third class of algorithm that facilitates molecular modeling through partially transferable in resolution "caching" of distributions for local clusters of molecular degrees of freedom. Differences, connections and potential interactions among these three algorithmic directions are discussed, with the hope to stimulate development of more elegant, efficient and reliable formulations and algorithms for "dividing and conquering" and "caching" in complex molecular systems.

Analytical approach for transient photoconductivity in undoped a-Si:H

1995 ◽  
Vol 377 ◽  
Author(s):  
M. Goerlitzer ◽  
P. Pipoz ◽  
H. Beck ◽  
N. Wyrsch ◽  
A. V. Shah
Keyword(s):  
Steady State ◽  
Theoretical Model ◽  
Analytical Approach ◽  
Room Temperature ◽  
Free Electrons ◽  
Recombination Time ◽  
Sample Quality ◽  
Transient Photoconductivity ◽  
Light Intensities ◽  
Good Agreement

ABSTRACTTransient photoconductive response of undoped a-Si:H has been studied; the changes were analysed between two slightly different steady-state illumination conditions, at room temperature. A theoretical model is developed to describe transient photoconductivity; it yields good agreement with the measured curves for a whole range of light intensities. Numerical evaluations allows one to extract the recombination time of electrons. Comparison with steady-state photoconductivity yields a band mobility of free electrons between 0.1 and 6 cm2V−1s−1, depending upon sample quality.

Modeling of Multibody Flexible Articulated Structures With Mutually Coupled Motions: Part II — Application and Results

1992 ◽  
Author(s):  
Jiechi Xu ◽  
Joseph R. Baumgarten
Keyword(s):  
Experimental Data ◽  
Degrees Of Freedom ◽  
Equations Of Motion ◽  
Open Loop ◽  
Body Motion ◽  
Universal Joint ◽  
Open Loop System ◽  
Numerical Examples ◽  
Kinematic Properties ◽  
Good Agreement

Abstract The application of the systematic procedures in the derivation of the equations of motion proposed in Part I of this work is demonstrated and implemented in detail. The equations of motion for each subsystem are derived individually and are assembled under the concept of compatibility between the local kinematic properties of the elastic degrees of freedom of those connected elastic members. The specific structure under consideration is characterized as an open loop system with spherical unconstrained chains being capable of rotating about a Hooke’s or universal joint. The rigid body motion, due to two unknown rotations, and the elastic degrees of freedom are mutually coupled and influence each other. The traditional motion superposition approach is no longer applicable herein. Numerical examples for several cases are presented. These simulations are compared with the experimental data and good agreement is indicated.

Dynamic Characteristics of TEHD Tilt Pad Journal Bearing Simulation Including Multiple Mode Pad Flexibility Model

1993 ◽  
Author(s):  
Jinsang Kim ◽  
Alan Palazzolo
Keyword(s):  
Heat Transfer ◽  
Elastic Deformation ◽  
Degrees Of Freedom ◽  
Journal Bearing ◽  
Variable Viscosity ◽  
Global Analysis ◽  
Analysis Method ◽  
Stiffness And Damping ◽  
Modal Coordinates ◽  
Good Agreement

Abstract An approach for incorporating the heat transfer and elastic deformation effects into dynamic coefficient calculation is presented. A global analysis method is used, which finds the equilibrium pad tilt angles at each eccentricity position and includes cross-film variable viscosity, heat transfer effects in the lubricant, elastic deformation, heat conduction effects in the pads, and elastic deformation effect in the pivots. Deflection modes are used to approximate deformation of the top surface of the pads. The dynamic coefficients of a single pad are calculated at the equilibrium state of the bearing, based on numerical perturbation with respect to the bearing degrees of freedom. These include journal position, pad rotation, pivot deformation, and modal coordinates. The stiffness and damping coefficients are calculated and show very good agreement with experimental and numerical results from the existing literature.

scholarly journals Response of a Warped Flexible Rotor with a Fluid Bearing

2008 ◽  
Vol 2008 ◽  
pp. 1-9 ◽  
Author(s):  
Jim Meagher ◽  
Xi Wu ◽  
Chris Lencioni
Keyword(s):  
Experimental Data ◽  
Analytical Model ◽  
Degrees Of Freedom ◽  
Journal Bearing ◽  
Equation Of Motion ◽  
Diagnostic Information ◽  
Flexible Rotor ◽  
Vibration Data ◽  
Rotor Model ◽  
Good Agreement

A two-complex-degrees-of-freedom model is developed and compared to experimental data for various amounts of rotor bow and its orientation to mass imbalance of the rotor. The equation of motion is developed by adding constant forces that rotate with the rotor to a Bently-Muszynska two-mode isotropic rotor model with a plane journal bearing. Diagnostic information discernable from probes at the bearing is explored and compared to midspan response, where previous research has concentrated. The model presented also extends earlier work by representing the effect of a nonrigid bearing. Good agreement between the analytical model and experiment demonstrates that the analysis presented can be useful to diagnose and balance residual shaft bow from probes located at the bearings, where vibration data are typically more available than midspan probes.

Prediction of Blade Flutter in a Tuned Rotor

1985 ◽  
Author(s):  
Jianmin Xu ◽  
Zhaohong Song
Keyword(s):  
Finite Element Method ◽  
Finite Element ◽  
Degrees Of Freedom ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Rotating Blades ◽  
Multiple Degrees Of Freedom ◽  
Strip Theory ◽  
Blade Flutter ◽  
Good Agreement

This paper is about blade flutter in a tuned rotor. With the aid of the combination of three dimensional structural finite element method, two dimensional aerodynamical finite difference method and strip theory, the quasi-steady models in which two degrees of freedom for a single wing were considered have been extended to multiple degrees of freedom for the whole blade in a tuned rotor. The eigenvalues solved from the blade motion equation have been used to judge whether the system is stable or not. The calculating procedure has been formed and using it the first stage rotating blades of a compressor where flutter had occurred, have been predicted. The numerical flutter boundaries have good agreement with the experimental ones.

Periodic tilings and auxetic deployments

2020 ◽  
pp. 108128652094811
Author(s):  
Ciprian S Borcea ◽  
Ileana Streinu
Keyword(s):  
Configuration Space ◽  
Structural Design ◽  
Degrees Of Freedom ◽  
Materials Science ◽  
Arbitrary Dimension ◽  
Geometric Characteristics ◽  
Global Configuration ◽  
Local Properties ◽  
Three Degrees Of Freedom

We investigate geometric characteristics of a specific planar periodic framework with three degrees of freedom. While several avatars of this structural design have been considered in materials science under the name of chiral or missing rib models, all previous studies have addressed only local properties and limited deployment scenarios. We describe the global configuration space of the framework and emphasize the geometric underpinnings of auxetic deformations. Analogous structures may be considered in arbitrary dimension.

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