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At least 19 records

Analytic expressions for atomic layer deposition: Coverage, throughput, and materials utilization in cross-flow, particle coating, and spatial atomic layer deposition

In this work, the authors present analytic models for atomic layer deposition (ALD) in three common experimental configurations: cross-flow, particle coating, and spatial ALD. These models, based on the plug-flow and well-mixed approximations, allow us to determine the minimum dose times and materials utilization for all three configurations. A comparison between the three models shows that throughput and precursor utilization can each be expressed by universal equations, in which the particularity of the experimental system is contained in a single parameter related to the residence time of the precursor in the reactor. For the case of cross-flow reactors, the authors show how simple analytic expressions for the reactor saturation profiles agree well with experimental results. Consequently, the analytic model can be used to extract information about the ALD surface chemistry (e.g., the reaction probability) by comparing the analytic and experimental saturation profiles, providing a useful tool for characterizing new and existing ALD processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Analytical Expression for DC Link Capacitor Current in a Cascaded H-Bridge Multi-Level Active Front-End Converter

Medium-voltage grid-tied systems often use a cascaded H-bridge multi-level active front-end. In this converter, dc link bus capacitors play an important role in stabilizing the converter and enabling both active and reactive power injections. The present work provides analytical expressions for the capacitor current, which are essential for optimizing system design (especially capacitor size vs. lifetime). Then, the expression is incorporated into the grid connected bidirectional power system model. Consequently, this work contributes to the guiding principles to choose accurate dc link capacitor ratings against grid-side power delivery requirements. The analytical results have been validated with detailed simulations and hardware results.

cascaded H-bridge, carrier-based PWM, dc-link capa↗

Characterizing the Relationship between Steady State and Response Using Analytical Expressions for the Steady States of Mass Action Models

The steady states of cells affect their response to perturbation. Indeed, diagnostic markers for predicting the response to therapeutic perturbation are often based on steady state measurements. In spite of this, no method exists to systematically characterize the relationship between steady state and response. Mathematical models are established tools for studying cellular responses, but characterizing their relationship to the steady state requires that it have a parametric, or analytical, expression. For some models, this expression can be derived by the King-Altman method. However, King-Altman requires that no substrate act as an enzyme, and is therefore not applicable to most models of signal transduction. For this reason we developed py-substitution, a simple but general method for deriving analytical expressions for the steady states of mass action models. Where the King-Altman method is applicable, we show that py-substitution yields an equivalent expression, and at comparable efficiency. We use py-substitution to study the relationship between steady state and sensitivity to the anti-cancer drug candidate, dulanermin (recombinant human TRAIL). First, we use py-substitution to derive an analytical expression for the steady state of a published model of TRAIL-induced apoptosis. Next, we show that the amount of TRAIL required for cell death is sensitive to the steady state concentrations of procaspase 8 and its negative regulator, Bar, but not the other procaspase molecules. This suggests that activation of caspase 8 is a critical point in the death decision process. Finally, we show that changes in the threshold at which TRAIL results in cell death is not always equivalent to changes in the time of death, as is commonly assumed. Our work demonstrates that an analytical expression is a powerful tool for identifying steady state determinants of the cellular response to perturbation.

59 BASIC BIOLOGICAL SCIENCES↗

Analytic Expressions for a 2D Permanent Magnetic Lattice with a 3D Bias Magnetic Field for Ultracold Atoms

In this paper, we discuss a permanent magnetic lattice for trapping and manipulating ultracold atoms and quantum degenerate gases. Considering three components of an external bias magnetic field, B{sub 1x}, B{sub 1y} and B{sub 1z} which are applied for controlling the magnetic lattice parameters, we obtain analytic expressions for the magnetic field minima locations as well as their absolute values, curvatures of the absolute value of the magnetic field, trap frequencies and barrier heights between minima in all directions. B{sub 1z} had previously been considered in numerical works, but not in analytic calculations, due to difficulty in obtaining the analytic expressions for the physical parameters and sufficiency of considering only B{sub 1x} and B{sub 1y}. Including the third component in this study provides further control over the magnetic lattice parameters. Also, in the presence of unavoidable bias magnetic fields with a z-component such as the Earth’s magnetic field, our analytic calculations could be useful. In numerical calculations, we have considered up to n{sub s} = 1001 square magnetic slabs in each direction of the 2D lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An analytic expression approximating the Debye heat capacity function

It is important to have analytic expressions for critical functions in the equations of state of materials. The Debye model has been very successful in approximating the thermal energy properties of a variety of solids, but is nonanalytic. Existing approximations suffer from various shortcomings, the most common being lack of applicability over some temperature range. A new analytic and integrable functional form that closely approximates the Debye model for the heat capacity is presented. This form, based on the mean of two Einstein heat capacity functions with a low temperature correction, exhibits deviations from the Debye model smaller than typical experimental scatter in heat capacity data.

36 MATERIALS SCIENCE↗

Analytical Expression for the Distribution of Elastic Strain Created by a Polyhedral Inclusion with Arbitrary Eigenstrain

Analytical expressions for the displacement vector, stain tensor, and Eshelby tensor have been obtained in the case where an inclusion in an elastically isotropic infinite medium has a polyhedral shape. The eigenstrain (e.g., the lattice mismatch) is assumed to be constant inside the inclusion but not obligatorily hydrostatic. The obtained expressions describe the strain both inside the inclusion and in its environment. It has been shown that a complex three-dimensional configuration of the elastic strain field (as well as of the displacement vector field) is reduced to a combination of simple functions having an illustrative physical and geometrical interpretation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An analytical expression for temperature in a thermodynamically consistent model with a Mie-Gruneisen equation for pressure

The objective of this paper is to develop an analytical expression for temperature in a thermodynamically consistent model with a Mie-Gruneisen equation for pressure. This expression for the temperature is obtained for both constant and variable specific heat models and can be used in common models for the material yield strength that include thermal softening due to increase in temperature. Additionally, the material parameters in the model can easily be calibrated to match known experimental data and the model has been used to determine the value of the shock pressure at the onset of melting during shock loading.

42 ENGINEERING↗

Physically motivated analytical expression for the temperature dependence of the zero-field splitting of the nitrogen-vacancy center in diamond

The temperature dependence of the zero-field splitting (ZFS) between the | $m_s$ = 0 $\rangle$ and | $m_s$ = ±1 $\rangle$ levels of the nitrogen-vacancy (NV) center's electronic ground-state spin triplet can be used as a robust nanoscale thermometer in a broad range of environments. However, despite numerous measurements of this dependence in different temperature ranges, to our knowledge no analytical expression has been put forward that captures the scaling of the ZFS of the NV center across all relevant temperatures. Here we present a simple, analytical, and physically motivated expression for the temperature dependence of the NV center's ZFS that matches all experimental observations, in which the ZFS shifts in proportion to the occupation numbers of two representative phonon modes. In contrast to prior models our expression does not diverge outside the regions of fitting. In conclusion, we show that our model quantitatively matches experimental measurements of the ZFS from 15 to 500 K in single NV centers in ultrapure bulk diamond, and we compare our model and measurements to prior models and experimental data.

36 MATERIALS SCIENCE↗

An analytical expression for ion velocities at the wall including the sheath electric field and surface biasing for erosion modeling at JET ILW

For simulation of plasma-facing component erosion in fusion experiments, an analytical expression for the ion velocity just before the surface impact including the local electric field and an optional surface biasing effect is suggested. Energy and angular impact distributions and the resulting effective sputtering yields were produced for several experimental scenarios at JET ILW mostly involving PFCs exposed to an oblique magnetic field. The analytic solution has been applied as an improvement to earlier ERO modelling of localized, Be outer limiter, RF-enhanced erosion, modulated by toggling of a remote, however magnetically connected ICRH antenna. The effective W sputtering yields due to D and Be ion impact in Type-I and Type-III ELMs and inter-ELM conditions were also estimated using the analytical approach and benchmarked by spectroscopy. The intra-ELM W sputtering flux increases almost 10 times in comparison to the inter-ELM flux.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analytic expression for poloidal flow velocity in the banana regime

The poloidal flow velocity in the banana regime is calculated by improving the l = 1 approximation for the Fokker-Planck collision operator [M. Taguchi, Plasma Phys. Controlled Fusion 30, 1897 (1988)]. The obtained analytic expression for this flow, which can be used for general axisymmetric toroidal plasmas, agrees quite well with the recently calculated numerical results by Parker and Catto [Plasma Phys. Controlled Fusion 54, 085011 (2012)] in the full range of aspect ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Approximate Analytic Expression for the Flux Density of Scintillation Light at the Photocathode

The flux density of light exiting scintillator crystals is an important factor affecting the performance of radiation detectors, and is of particular importance for position sensitive instruments. Recent work by T. Woldemichael developed an analytic expression for the shape of the light spot at the bottom of a single crystal [1]. However, the results are of limited utility because there is generally a light pipe and photomultiplier entrance window between the bottom of the crystal and the photocathode. In this study, we expand Woldemichael s theory to include materials each with different indices of refraction and compare the adjusted light spot shape theory to GEANT 4 simulations [2]. Additionally, light reflection losses from index of refraction changes were also taken into account. We found that the simulations closely agree with the adjusted theory.

Braverman, Joshua B↗

Soft mean spherical approximation for dusty plasma liquids: Level of accuracy and analytic expressions

The soft mean spherical approximation is employed for the study of the thermodynamics of dusty plasma liquids, the latter treated as Yukawa one-component plasmas. Within this integral theory method, the only input necessary for the calculation of the reduced excess energy stems from the solution of a single non-linear algebraic equation. Consequently, thermodynamic quantities can be routinely computed without the need to determine the pair correlation function or the structure factor. The level of accuracy of the approach is quantified after an extensive comparison with numerical simulation results. The approach is solved over a million times with input spanning the whole parameter space and reliable analytic expressions are obtained for the basic thermodynamic quantities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A New Analytical Expression for Estimating the Adiabatic Temperature Rise in Lithium-Ion Batteries During High-Power Pulses

A coupled, thermal-electrochemical model is used to explain why the Joule heating assumption (i.e., I 2 R) does not provide a good representation of the temperature rise during high power pulses in lithium-ion batteries, even in cases where the reversible heat generation can be neglected. The poor agreement occurs because the internal resistance changes during the pulse due to the opposing effects of mass transport in the electrolyte, which raises the resistance, and heat generation (temperature rise), which lowers the resistance. These insights are used to propose a new analytical expression for predicting the temperature rise during adiabatic pulses with limited experimental and physical data. The expression accounts for thermal effects using a Taylor series expansion of an Arrhenius-type equation. It accounts for transport effects using an approximate solution to the one-dimensional diffusion equation. The new expression is shown to accurately estimate the simulated, adiabatic temperature rise across a range of loadings (1 to 4 mAh cm -2 ) and C-rates (1C to 10C) for cells containing LiNi 0.5 Mn 0.3 Co 0.2 O 2 positive electrodes and graphite negative electrodes. In conclusion, it is also shown to accurately estimate the experimental, adiabatic temperature rise measured for cells with LiFePO 4 positive electrodes and mesocarbon negative electrodes with minimal changes to the fitted parameters.

25 ENERGY STORAGE↗

Analytical expressions of the surface shape of ‘diaboloid’ mirrors

Modern deterministic polishing processes allow fabrication of x-ray optics with almost any arbitrary aspherical surface shape. Among these optics, the so called "diaboloid"mirror is of special interest. The diaboloid mirror that converts a cylindrical wave to a spherical wave would improve focusing in x-ray beamlines implementing a diffraction element between a parabolic cylinder and a toroidal mirror. The replacement of the toroidal mirror in existing beamlines by the diaboloid mirror would mitigate aberrations. The shape of the diaboloid mirror is usually calculated numerically based on a truncated polynomial solution of the optical path problem. Here, we present an exact analytical solution for the shape of a diaboloid mirror as a function of the conjugate parameters of the mirror placed in a beamline. The derived analytical expressions for the diaboloid mirror in both the canonical and mirror-based coordinate systems are implemented in ray-tracing simulations to verify the beamline performances.

Yashchuk, Valeriy V.↗

The Direct Effect of Toroidal Magnetic Fields on Stellar Oscillations: An Analytical Expression for the General Matrix Element

Where is the solar dynamo located and what is its modus operandi? These are still open questions in solar physics. Helio- and asteroseismology can help answer them by enabling us to study solar and stellar internal structures through global oscillations. The properties of solar and stellar acoustic modes are changing with the level of magnetic activity. However, until now, the inference on subsurface magnetic fields with seismic measures has been very limited. The aim of this paper is to develop a formalism to calculate the effect of large-scale toroidal magnetic fields on solar and stellar global oscillation eigenfunctions and eigenfrequencies. If the Lorentz force is added to the equilibrium equation of motion, stellar eigenmodes can couple. In quasi-degenerate perturbation theory, this coupling, also known as the direct effect, can be quantified by the general matrix element. We present the analytical expression of the matrix element for a superposition of subsurface zonal toroidal magnetic field configurations. The matrix element is important for forward calculations of perturbed solar and stellar eigenfunctions and frequency perturbations. The results presented here will help to ascertain solar and stellar large-scale subsurface magnetic fields, and their geometric configuration, strength, and change over the course of activity cycles.

79 ASTRONOMY AND ASTROPHYSICS↗

Analytic Expressions for the Inner-rim Structure of Passively Heated Protoplanetary Disks

We analytically derive the expressions for the structure of the inner region of protoplanetary disks based on the results from the recent hydrodynamical simulations. The inner part of a disk can be divided into four regions: a dust-free region with a gas temperature in the optically thin limit, an optically thin dust halo, an optically thick condensation front, and the classical, optically thick region, in order from the innermost to the outermost. We derive the dust-to-gas mass ratio profile in the dust halo using the fact that partial dust condensation regulates the temperature relative to the dust evaporation temperature. Beyond the dust halo, there is an optically thick condensation front where all the available silicate gas condenses out. The curvature of the condensation surface is determined by the condition that the surface temperature must be nearly equal to the characteristic temperature ∼1200 K. We derive the midplane temperature in the outer two regions using the two-layer approximation, with the additional heating by the condensation front for the outermost region. As a result, the overall temperature profile is step-like, with steep gradients at the borders between the outer three regions. The borders might act as planet traps where the inward migration of planets due to gravitational interaction with the gas disk stops. The temperature at the border between the two outermost regions coincides with the temperature needed to activate magnetorotational instability, suggesting that the inner edge of the dead zone must lie at this border. The radius of the dead zone inner edge predicted from our solution is ∼2–3 times larger than that expected from the classical optically thick temperature.

79 ASTRONOMY AND ASTROPHYSICS↗

An analytic expression for the sheath criterion in magnetized plasmas with multi-charged ion species

The generalized Bohm criterion in magnetized multi-component plasmas consisting of multi-charged positive and negative ion species and electrons is analytically investigated by using the hydrodynamic model. It is assumed that the electrons and negative ion density distributions are the Boltzmann distribution with different temperatures and the positive ions enter into the sheath region obliquely. Our results show that the positive and negative ion temperatures, the orientation of the applied magnetic field and the charge number of positive and negative ions strongly affect the Bohm criterion in these multi-component plasmas. To determine the validity of our derived generalized Bohm criterion, it reduced to some familiar physical condition and it is shown that monotonically reduction of the positive ion density distribution leading to the sheath formation occurs only when entrance velocity of ion into the sheath satisfies the obtained Bohm criterion. Also, as a practical application of the obtained Bohm criterion, effects of the ionic temperature and concentration as well as magnetic field on the behavior of the charged particle density distributions and so the sheath thickness of a magnetized plasma consisting of electrons and singly charged positive and negative ion species are studied numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analytic expressions for electron-ion temperature equilibration rates from the Lenard-Balescu equation

In this paper, we elucidate the mathematical structure of the integral that arises when computing the electron-ion temperature equilibration time for a homogeneous weakly coupled plasma from the Lenard-Balescu equation. With some minor approximations, we derive an analytic formula, requiring no input Coulomb logarithm, for the equilibration rate that is valid for moderate electron-ion temperature ratios and arbitrary electron degeneracy. Lastly, for large temperature ratios, we derive the necessary correction to account for the coupled-mode effect, which can be evaluated very efficiently using ordinary Gaussian quadrature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗