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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Continuous-Discontinuous Hybrid Finite Element Method for S{sub N} Transport

Particle transport phenomenon for neutral particles, such as neutrons and photons, is governed by the linear Boltzmann equation, which is a first-order partial differential equation (PDE). In order to solve the transport equation, discontinuous finite element method (DFEM) is heavily developed. However, the large memory consumption due to the extra degrees of freedom is problematic in multi-D calculations. Another path is to recast the transport equation to a second-order form, such as the well-known self-adjoint angular flux equation (SAAF) and the even parity equations, and spatially discretize the equation using continuous finite element method (CFEM). Yet, such forms generally have problems in void situation as the streaming operator contains a 1/σ{sub t} term and becomes singular in void, which draws numerous efforts on developing void-treatment methods. An intuition to mitigate the shortcomings of both methods is then to develop a method that utilizes DFEM in part of the problem where CFEM has issues while in the other part, CFEM is employed to avoid DFEM's high cost. In this work, we present a novel continuous-discontinuous finite element method (CDFEM) for solving the discrete-ordinates (S{sub N}) transport equations. We perform the hybridization between 1/σ{sub t}-weighted least-squares finite element methods (1/σ{sub t}-LSFEM), with continuous basis functions, and first-order solver. Different solvers are defined in different regions, or subdomains, of the problem. The resulting scheme is such that CFEM-SAAF is performed in subdomains with continuous basis functions while upwinding based DFEM solver is utilized in subdomains with discontinuous basis functions. The connection between subdomains is through an upwinding operation on the interface, which can be performed via the sweep procedure. A foreseeable benefit is such a scheme is compatible with void as first-order DFEM solver can be used in void. On the other hand, as DFEM is only used in part of the problem, CDFEM can effectively avoid the notorious memory consumption of DFEM in multi-D calculation for the future work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2013

The Martian Dust Cycle: Observations and Modeling

The dust cycle is critically important for Mars' current climate system. Suspended atmospheric dust affects the radiative balance of the atmosphere, and thus greatly influences the thermal and dynamical state of the atmosphere. Evidence for the presence of dust in the Martian atmosphere can be traced back to yellow clouds telescopically observed as early as the early 19th century. The Mariner 9 orbiter arrived at Mars in November of 1971 to find a planet completely enshrouded in airborne dust. Since that time, the exchange of dust between the planet's surface and atmosphere and the role of airborne dust on Mars' weather and climate has been studied using observations and numerical models. The goal of this talk is to give an overview of the observations and to discuss the successes and challenges associated with modeling the dust cycle. Dust raising events on Mars range in size from meters to hundreds of kilometers. During some years, regional storms merge to produce hemispheric or planet encircling dust clouds that obscure the surface and raise atmospheric temperatures by tens of kelvin. The interannual variability of planet encircling dust storms is poorly understood. Although the occurrence and season of large regional and global dust storms are highly variable from one year to the next, there are many features of the dust cycle that occur year after year. A low-level dust haze is maintained during northern spring and summer, while elevated levels of atmospheric dust occur during northern autumn and winter. During years without global-scale dust storms, two peaks in total dust loading are generally observed: one peak occurs before northern winter solstice and one peak occurs after northern winter solstice. Numerical modeling studies attempting to interactively simulate the Martian dust cycle with general circulation models (GCMs) include the lifting, transport, and sedimentation of radiatively active dust. Two dust lifting processes are commonly represented in these models: wind-stress lifting (i.e., saltation) and dust devil lifting. Although the predicted patterns of dust lifting and atmospheric dust loading from these simulations capture some aspects of the observed dust cycle, there are many notable differences between the simulated and observed dust cycles. For example, it is common for models to predict one peak in global dust loading near northern winter solstice due to excessive dust lifting in the Hellas basin at this season. Additionally, it is difficult for models to realistically capture the observed interannual variability in global dust storms. New avenues of dust cycle modeling research include exploring the effects of finite surface dust reservoirs and the effects of coupling the dust and water cycles on the predicted dust cycle.

Kahre, Melinda A.↗
DOE OSTI2016

Nonlinear bioheat transfer models and multi-objective numerical optimization of the cryosurgery operations

Numerical computation of the three dimensional problem of the freezing interface propagation during the cryosurgery coupled with the multi-objective optimization methods is used in order to improve the efficiency and safety of the cryosurgery operations performing. Prostate cancer treatment and cutaneous cryosurgery are considered. The heat transfer in soft tissue during the thermal exposure to low temperature is described by the Pennes bioheat model and is coupled with an enthalpy method for blurred phase change computations. The finite volume method combined with the control volume approximation of the heat fluxes is applied for the cryosurgery numerical modeling on the tumor tissue of a quite arbitrary shape. The flux relaxation approach is used for the stability improvement of the explicit finite difference schemes. The method of the additional heating elements mounting is studied as an approach to control the cellular necrosis front propagation. Whereas the undestucted tumor tissue and destucted healthy tissue volumes are considered as objective functions, the locations of additional heating elements in cutaneous cryosurgery and cryotips in prostate cancer cryotreatment are considered as objective variables in multi-objective problem. The quasi-gradient method is proposed for the searching of the Pareto front segments as the multi-objective optimization problem solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Progress in the prediction of unsteady heat transfer on turbines blades

Progress toward developing a general method for predicting unsteady heat transfer on turbine blades subject to blade-passing frequencies and Reynolds numbers relevant to the Space Shuttle Main Engine (SSME) is discussed. The method employs an invisid/viscous interactive procedure which has been tested extensively for steady subsonic and transonic external airfoil problems. One such example is shown. The agreement with experimental data and with Navier-Stokes calculations yields confidence in the method. The technique is extended to account for wake generated unsteadiness. The flow reversals around the stagnation point caused by the nonuniform onset velocity are accounted for by using the Characteristic Box scheme developed by Cebeci and Stewartson. The coupling between the inviscid and viscous methods is achieved by using a special procedure, which, with a novel inverse finite-difference boundary-layer method, allows the calculations to be performed for a wide range of flow conditions, including separation. Preliminary results are presented for the stagnation region of turbine blades for both laminar and turbulent flows. A laminar model problem corresponding to a flow on a circular cylinder which experiences the periodic passing of wakes from turbine blades is presented to demonstrate the ability of the method to calculate flow reversals around the stagnation region.

Cebeci, T.↗
NASA NTRS1998

Electronic Properties of Carbon Nanotubes and Junctions

Metallic and semiconducting Single Wall Carbon Nanotubes (CNT) have recently been characterized using scanning tunneling microscopy (STM) and the manipulation of individual CNT has been demonstrated. These developments make the prospect of using CNT as molecular wires and possibly as electronic devices an even more interesting one. We have been modeling various electronic properties such as the density of states and the transmission coefficient of CNT wires and junctions. These studies involve first calculating the stability of junctions using molecular dynamics simulations and then calculating the electronic properties using a pi-electron tight binding Hamiltonian. We have developed the expertise to calculate the electronic properties of both finite-sized CNT and CNT systems with semi-infinite boundary conditions. In this poster, we will present an overview of some of our results. The electronic application of CNT that is most promising at this time is their use as molecular wires. The conductance can however be greatly reduced because of reflection due to defects and contacts. We have modeled the transmission through CNT in the presence of two types of defects: weak uniform disorder and strong isolated scatterers. We find that the conductance is affected in significantly different manners due to these defects Junctions of CNT have also been imaged using STM. This makes it essential to derive rules for the formation of junctions between tubes of different chirality, study their relative energies and electronic properties. We have generalized the rules for connecting two different CNT and have calculated the transmission and density of states through CNT junctions. Metallic and semiconducting CNT can be joined to form a stable junction and their current versus voltage characteristics are asymmetric. CNT are deformed by the application of external forces including interactions with a substrate or other CNT. In many experiments, these deformation are expected to occur naturally. We will present some preliminary results of our calculations of the modification of CNT electronic properties as a result of deformations.

Anantram, M. P.↗
DOE OSTI2022

Modelling of electrostatic ion-scale turbulence in divertor tokamaks with the gyrokinetic code $\mathrm{COGENT}$

Here, continuum gyrokinetic simulations of electrostatic ion scale turbulence are presented for the case of a diverted (single-null) tokamak geometry. The simulation model, implemented in the finite-volume code COGENT, solves the long-wavelength limit of the full-F gyrokinetic equation for ion species coupled to a vorticity equation for electrostatic potential variations, where a fluid model is used for an electron response. The model describes the ion scale ion temperature gradient (ITG) and resistive drift modes as well as neoclassical ion physics effects. Different turbulence regimes are observed depending on the plasma profiles, and the roles of a self-consistent background electric field and an X-point geometry are explored. In particular, increasing the pedestal density gradient and the corresponding radial electric field is demonstrated to suppress the ITG turbulence, whereas the same edge plasma background can still be destabilized by the resistive modes when the plasma resistivity is increased. The effects of X-point geometry are assessed by comparing cross-separatrix simulations with counterpart calculations performed for a toroidal annulus geometry. For the simulation parameters considered, similar global behaviour is observed in both cases, whereas strong local suppression of turbulence fluctuations is demonstrated near the X-point for the case of a single-null geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1990

A computational procedure for the dynamics of flexible beams within multibody systems

The dynamic analysis of three dimensional elastic beams which experience large rotational and large deformational motions are examined. The beam motion is modeled using an inertial reference for the translational displacements and a body-fixed reference for the rotational quantities. Finite strain rod theories are then defined in conjunction with the beam kinematic description which accounts for the effects of stretching, bending, torsion, and transverse shear deformations. A convected coordinate representation of the Cauchy stress tensor and a conjugate strain definition is introduced to model the beam deformation. To treat the beam dynamics, a two-stage modification of the central difference algorithm is presented to integrate the translational coordinates and the angular velocity vector. The angular orientation is then obtained from the application of an implicit integration algorithm to the Euler parameter/angular velocity kinematical relation. The combined developments of the objective internal force computation with the dynamic solution procedures result in the computational preservation of total energy for undamped systems. The present methodology is also extended to model the dynamics of deployment/retrieval of the flexible members. A moving spatial grid corresponding to the configuration of a deployed rigid beam is employed as a reference for the dynamic variables. A transient integration scheme which accurately accounts for the deforming spatial grid is derived from a space-time finite element discretization of a Hamiltonian variational statement. The computational results of this general deforming finite element beam formulation are compared to reported results for a planar inverse-spaghetti problem.

Downer, Janice Diane↗
NASA NTRS1995

Numerical thermal analyses of heat exchangers for the stirling engine application

The Regenerator, Cooler and Heater for the NASA Space Power Research Engine (SPRE) have been analyzed in detail for laminar, incompressible and oscillatory flow conditions. Each component has been analyzed independently and in detail with the regenerator being modeled as two-parallel-plates channel with a solid wall. The ends of the channel are exposed to two reservoir maintained at different temperature thus providing an axial temperature gradient along the channel. The cooler and heater components have been modeled as circular pipes with isothermal walls. Two different types of thermal boundary conditions have been investigated for the cooler and heater, namely, symmetric and asymmetric temperature inflow. In symmetric temperature inflow the flow enters the channel with the same temperature in throughout the velocity cycle whereas, in asymmetric temperature inflow the flow enters with a different temperature in each half cycle. The study was conducted over a wide range of Maximum Reynolds number (RE(max) varying from 75 to 60000, Valensi number (Va) from 2.5 to 800, and relative amplitude of fluid displacement (A(sub r) from 0.357 to 1.34. A two dimensional Finite volume method based on the SIMPLE algorithm was used to solve the governing partial differential equations. Post processing programs were developed to effectively describe the heat transfer mechanism under oscillatory flows. The computer code was validated by comparing with existing analytical solutions for oscillating flows. The thermal field have been studied with the help of temperature contour and three dimensional plots. The instantaneous friction factor, wall heat flux and heat transfer coefficient have been examined. It has been concluded that in general, the frictional factor and heat transfer coefficient are higher under oscillatory flow conditions when the Valensi number is high. Also, the thermal efficiency decreases for lower A(r) values. Further, the usual steady state definition for the heat transfer coefficient does not seem to be valid.

Kannapareddy, Mohan Raj↗
NASA NTRS1997

A High-Order Direct Solver for Helmholtz Equations with Neumann Boundary Conditions

In this study, a compact finite-difference discretization is first developed for Helmholtz equations on rectangular domains. Special treatments are then introduced for Neumann and Neumann-Dirichlet boundary conditions to achieve accuracy and separability. Finally, a Fast Fourier Transform (FFT) based technique is used to yield a fast direct solver. Analytical and experimental results show this newly proposed solver is comparable to the conventional second-order elliptic solver when accuracy is not a primary concern, and is significantly faster than that of the conventional solver if a highly accurate solution is required. In addition, this newly proposed fourth order Helmholtz solver is parallel in nature. It is readily available for parallel and distributed computers. The compact scheme introduced in this study is likely extendible for sixth-order accurate algorithms and for more general elliptic equations.

Sun, Xian-He↗
DOE OSTI2016

Determination of excited states of quantum systems by finite difference time domain method (FDTD) with supersymmetric quantum mechanics (SUSY-QM)

We have applied the finite difference time domain (FDTD) method with the supersymmetric quantum mechanics (SUSY-QM) procedure to determine excited energies of one dimensional quantum systems. The theoretical basis of FDTD, SUSY-QM, a numerical algorithm and an illustrative example for a particle in a one dimensional square-well potential were given in this paper. It was shown that the numerical results were in excellent agreement with theoretical results. Numerical errors produced by the SUSY-QM procedure was due to errors in estimations of superpotentials and supersymmetric partner potentials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The role of surfaces in flexoelectricity

We develop the relationship between the strain derivative of the mean-inner potential and surface contributions to flexoelectricity, identifying the true surface-specific component of the flexoelectric response of finite samples. Density functional theory calculations on a range of experimentally observed, low energy SrTiO 3 , MgO, and Si surfaces demonstrate that the mean-inner potential and its contributions to flexoelectricity are sensitive to small differences in surface structure, chemistry, and adsorbates. We also introduce a method to estimate mean-inner potential contributions to flexoelectricity using electron scattering factors and use this approximation to predict total flexoelectric responses for a variety of insulators. Strategies to experimentally disentangle bulk and surface flexoelectric terms are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ultrafast Laser Material Damage Simulation—A New Look at an Old Problem

The chirped pulse amplification technique has enabled the generation of pulses of a few femtosecond duration with peak powers multi-Tera and Peta–Watt in the near infrared. Its implementation to realize even shorter pulse duration, higher energy, and higher repetition rate laser systems relies on overcoming the limitations imposed by laser damage of critical components. In particular, the laser damage of coatings in the amplifiers and in post-compression optics have become a bottleneck. The robustness of optical coatings is typically evaluated numerically through steady-state simulations of electric field enhancement in multilayer stacks. However, this approach cannot capture crucial characteristics of femtosecond laser induced damage (LID), as it only considers the geometry of the multilayer stack and the optical properties of the materials composing the stack. This approach neglects that in the interaction of an ultrashort pulse and the materials there is plasma generation and associated material modifications. Here, we present a numerical approach to estimate the LID threshold of dielectric multilayer coatings based on strong field electronic dynamics. In this dynamic scheme, the electric field propagation, photoionization, impact ionization, and electron heating are incorporated through a finite-difference time-domain algorithm. We applied our method to simulate the LID threshold of bulk fused silica, and of multilayer dielectric mirrors and gratings. The results are then compared with experimental measurements. The salient aspects of our model, such as the implementation of the Keldysh photoionization model, the impact ionization model, the electron collision model for ‘low’-temperature, dense plasma, and the LID threshold criterion for few-cycle pulses are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Fourth-Order Symmetry Energy of Finite Nuclei

The fourth-order symmetry energy E{sub sym,4}(A) of heavy nuclei is investigated based on the Skyrme energy density functional in combination with a local density approximation. Unlike some previous works, in our method, the interferences from the other energy terms are removed since it is completely isolated from the rest of energy terms. The calculated E{sub sym,4}(A) is much less than that extracted from nuclear masses. The underlying reason for the big difference is discussed. The Brueckner theory also gives a small fourth-order symmetry energy coefficient of nuclear matter, which is also different from recent conclusions with another methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Anomalous thermodynamic properties of quantum critical superconductors

Recent high-precision measurements employing different experimental techniques have unveiled an anomalous peak in the doping dependence of the London penetration depth which is accompanied by anomalies in the heat capacity in iron-pnictide superconductors at the optimal composition associated with the hidden antiferromagnetic quantum critical point. Here, we argue that finite temperature effects can be a cause of observed features. Specifically we show that quantum critical magnetic fluctuations under superconducting dome can give rise to a nodal-like temperature dependence of both specific heat and magnetic penetration depth in a fully gapped superconductor. In the presence of line nodes in the superconducting gap fluctuations can lead to the significant renormalization of the relative slope of T-linear penetration depth which is steepest at the quantum critical point. The results we obtain are general and can be applied beyond the model we use.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Fluid and hybrid simulations of the ionization instabilities in Hall thruster

Low-frequency axial oscillations in the range of 5–50 kHz stand out as a pervasive feature observed in many types of Hall thrusters. While it is widely recognized that the ionization effects play the central role in this mode, as manifested via the large-scale oscillations of neutral and plasma density, the exact mechanism(s) of the instabilities remain unclear. To gain further insight into the physics of the breathing mode and evaluate the role of kinetic effects, a one-dimensional time-dependent full nonlinear low-frequency model describing neutral atoms, ions, and electrons is developed in full fluid formulation and compared to the hybrid model in which the ions and neutrals are kinetic. Both models are quasi-neutral and share the same electron fluid equations that include the electron diffusion, mobility across the magnetic field, and the electron energy evolution. The ionization models are also similar in both approaches. Further, the predictions of fluid and hybrid simulations are compared for different test cases. Two main regimes are identified in both models: one with pure low-frequency behavior and the other one, where the low-frequency oscillations coexist with high-frequency oscillations in the range of 100–200 kHz, with the characteristic time scale of the ion channel fly-by time, 100–200 kHz. The other test case demonstrates the effect of a finite temperature of injected neutral atoms, which has a substantial suppression effect on the oscillation amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

Numerical solution of the Navier-Stokes equations for laminar, transonic flows

An implicit finite difference solution of the Navier-Stokes equations yielded time histories of the transonic laminar flow development about a circular cylinder and NACA-0018 airfoil. Reynolds numbers ranged from those corresponding to purely laminar flow to those corresponding to significant turbulence in the boundary layer. Body thermal conditions of an adiabatic wall and a specified body temperature were considered. Versatility in treating arbitrary bodies was incorporated by using numerically generated, body-fitted coordinate transformations. Solution of the simultaneous difference equations for the dependent variables was obtained using an accelerated Gauss-Seidel iterative scheme. Computational results are presented in the form of velocity vector fields, Mach number contours, aerodynamic coefficients, heat transfer rates at the body surface, and body temperature distributions. Truncation analyses of first and second derivative difference approximations resulted in general criteria for numerically generated coordinates so that flow near a body is more accurately represented.

Turner, L., III↗
DOE OSTI2022

Thermoplasticity of metallic glasses: Processing and applications

Owing to their extremely low shear viscosity and fragility, bulk metallic glasses (BMGs) are envisioned as new net-shaping material replacing conventionally used crystalline metals for various applications. The first part of this review describes the general technique and kinetics of thermoplastic forming. The second part elaborates on the thermal processing capability of metallic glasses from atomic- to meter-scale. The micro-/nano-structure obtained after various quenching rates followed by temperature, time and heating rate dependent thermoplastic forming is described in the third section. The deformation behavior and flow kinetics of BMGs in terms of composition, mold features, and applied conditions are elaborated in the fourth section. The variation of volume and enthalpy at the supercooled liquid region, strength retention of metallic glasses compared to other conventional metals and alloys, and kinetics of liquid fragility are given in the fifth section. Finite element modeling and molecular dynamics simulations of high-temperature deformation in BMGs are presented in the sixth part. Finally, thermally-formed BMGs used for different applications, including energy, biomedical and micro-optics, are presented in the final part. Altogether, this review provides an overview of shaping capabilities and modifications in the macro-scale properties and short-to-medium range order of BMGs upon thermoplastic forming.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Burst Testing and Analysis of Superalloy Disks With a Dual Grain Microstructure

Elastic-plastic finite element analyses of room temperature burst tests on four superalloy disks were conducted and reported in this paper. Two alloys, Rene 104 (General Electric Aircraft Engines) and Alloy 10 (Honeywell Engines & Systems), were studied. For both alloys an advanced dual microstructure disk, fine grain bore and coarse grain rim, were analyzed and compared with conventional disks with uniform microstructures, coarse grain for Rene 104 and fine grain for Alloy 10. The analysis and experimental data were in good agreement up to burst. At burst, the analysis underestimated the speed and growth of the Rene 104 disks, but overestimated the speed and growth of the Alloy 10 disks. Fractography revealed that the Alloy 10 disks displayed significant surface microcracking and coalescence in comparison to Rene 104 disks. This phenomenon may help explain the differences between the Alloy 10 disks and the Rene 104 disks, as well as the observed deviations between analytical and experimental data at burst.

Gayda, John↗