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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

The growth of advanced energy technologies for power generation is enabled by the design, development, and integration of structural materials that can withstand extreme environments, such as high temperatures, radiation damage, and corrosion. High-entropy alloys (HEAs) are a class of structural materials in which suitable chemical elements in four or more numbers are mixed to typically produce single-phase concentrated solid solution alloys (CSAs). Many of these alloys exhibit good radiation tolerance like limited void swelling and hardening up to relatively medium radiation doses (tens of displacements per atom (dpa)); however, at higher radiation damage levels (>50 dpa), some HEAs suffer from considerable void swelling limiting their near-term acceptance for advanced nuclear reactor concepts. In this study, we developed a HEA containing a high density of Cu-rich nanoprecipitates distributed in the HEA matrix. The Cu-added HEA, NiCoFeCrCu 0.12 , shows excellent void swelling resistance and negligible radiation-induced hardening upon irradiation up to high radiation doses (i.e., higher than 100 dpa). The void swelling resistance of the alloy is measured to be significantly better than NiCoFeCr CSA and austenitic stainless steels. Density functional theory simulations predict lower vacancy and interstitial formation energies at the coherent interfaces between Cu-rich nanoprecipitates and the HEA matrix. The alloy maintained a high sink strength achieved via nanoprecipitates and the coherent interface with the matrix at a high radiation dose (~50 dpa). From our experiments and simulations, the effective recombination of radiation-produced vacancies and interstitials at the coherent interfaces of the nanoprecipitates is suggested to be the critical mechanism responsible for the radiation tolerance of the alloy. Furthermore, the materials design strategy based on incorporating a high density of interfaces can be applied to high-entropy alloy systems to improve their radiation tolerance.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Radiative Transfer Theory Verified by Controlled Laboratory Experiments

We report the results of high-accuracy controlled laboratory measurements of the Stokes reflection matrix for suspensions of submicrometer-sized latex particles in water and compare them with the results of a numerically exact computer solution of the vector radiative transfer equation (VRTE). The quantitative performance of the VRTE is monitored by increasing the volume packing density of the latex particles from 2 to 10. Our results indicate that the VRTE can be applied safely to random particulate media with packing densities up to 2. VRTE results for packing densities of the order of 5 should be taken with caution, whereas the polarized bidirectional reflectivity of suspensions with larger packing densities cannot be accurately predicted. We demonstrate that a simple modification of the phase matrix entering the VRTE based on the so-called static structure factor can be a promising remedy that deserves further examination.

Radiative transfer↗
DOE OSTI2025

Open-closed 3d gravity as a random ensemble

We investigate an ensemble of boundary CFTs within the framework of a tensor model recently constructed to model 3d quantum gravity. The incorporation of CFT borders introduces new elements to the gravity theory. In particular, it leads to an open-closed extension of Virasoro TQFT, which in the classical limit gives rise to 3d gravity with tensionful end-of-the-world branes. It also provides predictions for off-shell manifolds with bordered asymptotic boundaries, such as the annulus wormhole. As an application, we construct a purely open variant of the tensor model to study a purely open bootstrap problem in the context of CFT triangulation. We also briefly discuss the extension to non-orientable CFTs.

AdS-CFT correspondence↗
DOE OSTI2022

Global calculation of two-neutrino double- β decay within the finite amplitude method in nuclear density functional theory

Two-neutrino double-beta (2νββ) decay has been used to constrain the neutron-proton part of effective interactions, which in turn is used to compute the nuclear matrix elements for neutrinoless double-beta decay, the observation of which would have important consequences for fundamental physics. We carefully examine 2νββ matrix elements within the proton-neutron quasiparticle random-phase approximation with nuclear energy density functionals. Here we work with functionals that are fit globally to single-beta-decay half-lives and charge-exchange giant-resonance energies, but not to 2νββ half-lives themselves, to evaluate the 2νββ nuclear matrix elements for all important nuclei, including those whose half-lives have not yet been measured. Such a comprehensive evaluation in large model spaces without configuration truncation requires an efficient computational scheme; we employ a double contour integration within the finite amplitude method. The results generally reproduce the nuclear matrix element extracted from half-lives well, without the use of any of those half-lives in the fitting procedure. We present predictions of the matrix elements in a total of 27 nuclei with half-lives that are still unmeasured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Modeling and simulation of vascular tumors embedded in evolving capillary networks

Here in this work, we present a coupled 3D–1D model of solid tumor growth within a dynamically changing vascular network to facilitate realistic simulations of angiogenesis. Additionally, the model includes erosion of the extracellular matrix, interstitial flow, and coupled flow in blood vessels and tissue. We employ continuum mixture theory with stochastic Cahn–Hilliard type phase-field models of tumor growth. The interstitial flow is governed by a mesoscale version of Darcy’s law. The flow in the blood vessels is controlled by Poiseuille flow, and Starling’s law is applied to model the mass transfer in and out of blood vessels. The evolution of the network of blood vessels is orchestrated by the concentration of the tumor angiogenesis factors (TAFs); blood vessels grow towards the increasing TAFs concentrations. This process is not deterministic, allowing random growth of blood vessels and, therefore, due to the coupling of nutrients in tissue and vessels, makes the growth of tumors stochastic. We demonstrate the performance of the model by applying it to a variety of scenarios. Numerical experiments illustrate the flexibility of the model and its ability to generate satellite tumors. Simulations of the effects of angiogenesis on tumor growth are presented as well as sample-independent features of cancer.

3D–1D coupled blood flow models↗
DOE OSTI2020

CU-BENs: A structural modeling finite element library

The present work discusses capabilities within the finite element library CU-BENs. CU-BENs focuses on applying the finite element method to structural mechanics problems encountered within the context of inverse problems and partitioned fluid–structure interaction; thus element formulations are primarily of a structural type — truss, frame, and triangular discrete Kirchhoff theory shells. CU-BENs defaults to the skyline sparse storage scheme for the system matrix, but also supports other storage schemes when using external libraries such as LAPACK and UMFPACK. CU-BENs includes built-in nonlinear solution strategies, such as the Newton Raphson method and modified spherical arc length method, that are available within static analyses as well within the context of transient dynamic analyses involving a generalized-α implementation of the Newmark implicit time integration scheme.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride

In this paper, we analyze the numerical aspects of the inherent multi reference density matrix renormalization group (DMRG) calculations on top of the periodic Kohn-Sham density functional theory using the complete active space approach. The potential of the framework is illustrated by studying hexagonal boron nitride nanoflakes embedding a charged single boron vacancy point defect by revealing a vertical energy spectrum with a prominent multireference character. We investigate the consistency of the DMRG energy spectrum from the perspective of sample size, basis size, and active space selection protocol. Results obtained from standard quantum chemical atom-centered basis calculations and plane-wave based counterparts show excellent agreement. Furthermore, we also discuss the spectrum of the periodic sheet which is in good agreement with extrapolated data of finite clusters. These results pave the way toward applying the DMRG method in extended correlated solid-state systems, such as point defect qubit in wide band gap semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Enhanced Diffusive Transport in Fluctuating Porous Media

Mass transport within porous structures is a ubiquitous process in biological, geological, and technological systems. Despite the importance of these phenomena, there is no comprehensive theory that describes the complex and diverse transport behavior within porous environments. While the porous matrix itself is generally considered a static and passive participant, many porous environments are in fact dynamic, with fluctuating walls, pores that open and close, and dynamically changing cross-links. While diffusion has been measured in fluctuating structures, notably in model biological systems, it is rarely possible to isolate the effect of fluctuations because of the absence of control experiments involving an identical static counterpart, and it is generally impossible to observe the dynamics of the structure. In this paper, we present a direct comparison of the diffusion of nanoparticles of various sizes within a trackable, fluctuating porous matrix and a geometrically equivalent static matrix, in conditions spanning a range of regimes from obstructed to highly confined. The experimental system comprised a close-packed layer of colloidal spheres that were either immobilized to a planar surface or allowed to fluctuate locally, within the space defined by their nearest neighbors. Interestingly, the effective long-time diffusion coefficient was approximately 35–65% greater in the fluctuating porous matrix than in the static one (depending on the size of the nanoparticle probes), regardless of the geometric regime. This was explained by considering the enhancing effects of matrix fluctuations on the short-time diffusion coefficient and cooperative “gate-opening” motions of matrix particles and nanoparticle probes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1971

Users manual for the Variable dimension Automatic Synthesis Program (VASP)

A dictionary and some problems for the Variable Automatic Synthesis Program VASP are submitted. The dictionary contains a description of each subroutine and instructions on its use. The example problems give the user a better perspective on the use of VASP for solving problems in modern control theory. These example problems include dynamic response, optimal control gain, solution of the sampled data matrix Ricatti equation, matrix decomposition, and pseudo inverse of a matrix. Listings of all subroutines are also included. The VASP program has been adapted to run in the conversational mode on the Ames 360/67 computer.

White, J. S.↗
NASA NTRS1973

Some optimal considerations in attitude control systems

The conventional six-engine reaction control jet relay attitude control law with deadband is shown to be a good linear approximation to a weighted time-fuel optimal control law. Techniques for evaluating the value of the relative weighting between time and fuel for a particular relay control law is studied along with techniques to interrelate other parameters for the two control laws. Vehicle attitude control laws employing control moment gyros are then investigated. Steering laws obtained from the expression for the reaction torque of the gyro configuration are compared to a total optimal attitude control law that is derived from optimal linear regulator theory. This total optimal attitude control law has computational disadvantages in the solving of the matrix Riccati equation. Several computational algorithms for solving the matrix Riccati equation are investigated with respect to accuracy, computational storage requirements, and computational speed.

Boland, J. S., III↗
NASA NTRS1973

Stability of matrix equations arising in electromagnetics

Many problems in electromagnetics can be formulated as a Fredholm equation of the first kind. In these problems it is desired to determine some function f(x) from its integral transform g(y). Except for special cases for which an explicit inverse operator is known, the equation is usually discretized by the method of moments into a matrix equation Af = g, which is then solved on a computer. A method of calculating the sensitivity of the solution of Af = g due to errors in either the vector g or the matrix A is developed. The usefulness of this method is demonstrated with problems from antenna theory, scattering theory, and remote sensing.

Klein, C.↗
NASA NTRS1976

Dielectric coated wire antennas

An electrically thin dielectric insulating shell on an antenna composed of electrically thin circular cylindrical wires is examined. A moment method solution is obtained, and the insulating shell is modeled by equivalent volume polarization currents. These polarization currents are related in a simple manner to the surface charge density on the wire antenna. In this way the insulating shell causes no new unknowns to be introduced, and the size of the impedance matrix is the same as for the uninsulated wires. The insulation is accounted for entirely through a modification of the symmetric impedance matrix. This modification influences the current distribution, impedance, efficiency, field patterns, and scattering properties. The theory is compared with measurement for dielectric coated antennas in air.

Richmond, J. H.↗
NASA NTRS1977

Comment on the relation between the nonadiabatic coupling and the complex intersection of potential energy curves

Simple relations are discussed that provide a correspondence between the complex intersection of two potential surfaces and the nonadiabatic coupling matrix element between those surfaces. These are key quantities in semiclassical and quantum-mechanical theories of collision-induced electronic transitions. Within the two-state approximation, the complex intersection is shown to be directly related to the location and magnitude of the peak in the nonadiabatic coupling. Two cases have been considered: (1) the avoided crossing between two potential surfaces, and (2) the spin-orbit interaction due to a 2P halogen atom. Comparisons are made between the results of the two-state model and the results of ab initio quantum chemical calculations.

Jaffe, R. L.↗
NASA NTRS1981

Vibration of prestressed periodic lattice structures

Equations are developed for vibration of general lattice structures that have repetitive geometry. The method of solution is an extension of a previous paper for buckling of similar structures. The theory is based on representing each member of the structure with the exact dynamic stiffness matrix and taking advantage of the repetitive geometry to obtain an eigenvalue problem involving the degrees-of-freedom at a single node in the lattice. Results are given for shell-and beam-like lattice structures and for rings stiffened with tension cables and a central mast. The variation of frequency with external loading and the effect of local member vibration on overall modes is shown.

Anderson, M. S.↗
NASA NTRS1981

Kinematic properties of rotary-wing and fixed-wing aircraft in steady coordinated high-g turns

An analytical approach to the study of flight dynamics of aircraft operating in a high-angle-of-attack flight regime and of helicopters operating in extreme thrust conditions is presented. Steady coordinated high-g turns are used to establish the initial equilibrium flight conditions near stall angles of attack. The kinematic properties of the aircraft in steady coordinated turns are examined: in high-g turns, pitch rate (independent of the angle of attack) is of a much larger magnitude than roll and yaw rate; a substantial roll rate is found to develop in steep turns for all angles of attack; the angle of attack also has a significant effect on the pitch attitude, with decreasing influence as the normal load factor increases. The exact small disturbance equations of motion of the aircraft in general steady turns are also developed for application to both rotary-wing and fixed-wing aircraft in extreme conditions. These equations are in a first-order, vector-matrix format, and are thus compatible with many efficient software packages developed in modern system theory.

Chen, R. T. N.↗
NASA NTRS1987

Composite structural materials

The development and application of composite materials to aerospace vehicle structures which began in the mid 1960's has now progressed to the point where what can be considered entire airframes are being designed and built using composites. Issues related to the fabrication of non-resin matrix composites and the micro, mezzo and macromechanics of thermoplastic and metal matrix composites are emphasized. Several research efforts are presented. They are entitled: (1) The effects of chemical vapor deposition and thermal treatments on the properties of pitch-based carbon fiber; (2) Inelastic deformation of metal matrix laminates; (3) Analysis of fatigue damage in fibrous MMC laminates; (4) Delamination fracture toughness in thermoplastic matrix composites; (5) Numerical investigation of the microhardness of composite fracture; and (6) General beam theory for composite structures.

Loewy, Robert G.↗
NASA NTRS2003

Analytic Solution to the Problem of Aircraft Electric Field Mill Calibration

It is by no means a simple task to retrieve storm electric fields from an aircraft instrumented with electric field mill sensors. The presence of the aircraft distorts the ambient field in a complicated way. Before retrievals of the storm field can be made, the field mill measurement system must be "calibrated". In other words, a relationship between impressed (i.e., ambient) electric field and mill output must be established. If this relationship can be determined, it is mathematically inverted so that ambient field can be inferred from the mill outputs. Previous studies have primarily focused on linear theories where the relationship between ambient field and mill output is described by a "calibration matrix" M. Each element of the matrix describes how a particular component of the ambient field is enhanced by the aircraft. For example the product M(sub ix), E(sub x), is the contribution of the E(sub x) field to the i(th) mill output. Similarly, net aircraft charge (described by a "charge field component" E(sub q)) contributes an amount M(sub iq)E(sub q) to the output of the i(th) sensor. The central difficulty in obtaining M stems from the fact that the impressed field (E(sub x), E(sub y), E(sub z), E(sub q) is not known but is instead estimated. Typically, the aircraft is flown through a series of roll and pitch maneuvers in fair weather, and the values of the fair weather field and aircraft charge are estimated at each point along the aircraft trajectory. These initial estimates are often highly inadequate, but several investigators have improved the estimates by implementing various (ad hoc) iterative methods. Unfortunately, none of the iterative methods guarantee absolute convergence to correct values (i.e., absolute convergence to correct values has not been rigorously proven). In this work, the mathematical problem is solved directly by analytic means. For m mills installed on an arbitrary aircraft, it is shown that it is possible to solve for a single 2m-vector that provides all other needed variables (i.e., the unknown fair weather field, the unknown aircraft charge, and the unknown matrix M). Numerical tests of the solution, effects of measurement errors, and studies of solution non-uniqueness are ongoing as of this writing.

Koshak, William↗
NASA NTRS2014

Si-Ge Nano-Structured with Tungsten Silicide Inclusions

Traditional silicon germanium high temperature thermoelectrics have potential for improvements in figure of merit via nano-structuring with a silicide phase. A second phase of nano-sized silicides can theoretically reduce the lattice component of thermal conductivity without significantly reducing the electrical conductivity. However, experimentally achieving such improvements in line with the theory is complicated by factors such as control of silicide size during sintering, dopant segregation, matrix homogeneity, and sintering kinetics. Samples are prepared using powder metallurgy techniques; including mechanochemical alloying via ball milling and spark plasma sintering for densification. In addition to microstructural development, thermal stability of thermoelectric transport properties are reported, as well as couple and device level characterization.

thermoelectricity↗