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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

QuTree: A tree tensor network package

Here we present QuTree, a C++ library for tree tensor network approaches. QuTree provides class structures for tensors, tensor trees, and related linear algebra functions that facilitate the fast development of tree tensor network approaches such as the multilayer multiconfigurational time-dependent Hartree approach or the density matrix renormalization group approach and its various extensions. We investigate the efficiency of relevant tensor and tensor network operations and show that the overhead for managing the network structure is negligible, even in cases with a million leaves and small tensors. QuTree focuses on providing simple, high-level routines while retaining easy access to the backend to facilitate novel developments. We demonstrate the capabilities of the package by computing the eigenstates of coupled harmonic oscillator Hamiltonians and performing random circuit simulations on a virtual quantum computer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Progress on Complex Langevin simulations of a finite density matrix model for QCD

We study the Stephanov model, which is an RMT model for QCD at finite density, using the Complex Langevin algorithm. Naive implementation of the algorithm shows convergence towards the phase quenched or quenched theory rather than to intended theory with dynamical quarks. A detailed analysis of this issue and a potential resolution of the failure of this algorithm are discussed. We study the effect of gauge cooling on the Dirac eigenvalue distribution and time evolution of the norm for various cooling norms, which were specifically designed to remove the pathologies of the complex Langevin evolution. The cooling is further supplemented with a shifted representation for the random matrices. Unfortunately, none of these modifications generate a substantial improvement on the complex Langevin evolution and the final results still do not agree with the analytical predictions.

Bloch, Jacques↗
DOE OSTI2019

Negative specific heat from non-planar interactions and small black holes in AdS/CFT

The gravity side of the gauge/gravity duality predicts the existence of small black holes with negative specific heat. A free theory of strings has a Hagedorn behavior, but it does not lead to negative specific heat. To understand such states one needs to consider a theory of interacting strings. In the dual gauge theory, the string interactions are related to non-planar diagrams. In this paper the simplest gauge matrix model of two free matrices, that has Hagedorn behavior is analyzed in detail. A simple double trace deformation of the Hamiltonian, proportional to square of the free Hamiltonian square with a negative sign that mimics a gravitational attraction is enough to produce states with negative specific heat perturbatively and one can still compute the equation of state relating the entropy and the energy. A more general argument based on non-planar interactions that are random and that grow faster in strength than the energy suggests that states with negative specific heat appear generically.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-J-83: Ion Imaging to Better Estimate In-Vivo Relative Stopping Powers Using X-Ray CT Prior-Knowledge Information

Purpose: To reduce uncertainties in relative stopping power (RSP) estimates for ions (alpha and carbon) by using Ion radiographic-imaging and X-ray CT prior-knowledge. Methods: A 36×36 phantom matrix composed of 9 materials with different thicknesses and randomly placed is generated. Theoretical RSPs are calculated using stopping power (SP) data from three references (Janni, ICRU49 and Bischel). We introduced an artificial systematic error (1.5%, 2.5% or 3.5%) and a random error (<0.5%) to the SP to simulated patient ion-range errors present in clinic environment. Carbon/alpha final energy for each RSPs set (theoretical and from CT images) is obtained with a ray-tracing algorithm. A gradient descent (GD) method is used to minimize the difference in exit particle energy, between theory and X-ray CT RSP maps, by iteratively correcting the RSP map from X-ray CT. Once a new set of RSPs is obtained for a direction a new optimization is done over other direction using the RSPs from the previous optimization. Theoretical RSPs are compared with experimental RSPs obtained with Gammex Phantom. Results: Preliminary results show that optimized RSP values can be obtained with smaller uncertainties (<1%) than clinical RSPs (1.5% to 3.5%). Theoretical values from three different references show uncertainties, up to 3% from experimental values. Further investigation will consider prior-knowledge from RSP obtained with CT images and ion radiographies from Monte Carlo Simulations. Conclusion: GD and ray-tracing methods have been implemented to reduce RSP uncertainties from values obtained for clinical treatment. Experimental RSPs will be obtained using carbon/alpha beams to consider the existence of material dependent systematic errors. Based on the results, it is hoped to show that using ray-tracing optimization with ion radiography and prior knowledge on RPSs, treatment planning accuracy and cost-effectiveness can be improved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2013

Comprehensive T-Matrix Reference Database: A 2012 - 2013 Update

The T-matrix method is one of the most versatile, efficient, and accurate theoretical techniques widely used for numerically exact computer calculations of electromagnetic scattering by single and composite particles, discrete random media, and particles imbedded in complex environments. This paper presents the fifth update to the comprehensive database of peer-reviewed T-matrix publications initiated by us in 2004 and includes relevant publications that have appeared since 2012. It also lists several earlier publications not incorporated in the original database, including Peter Waterman's reports from the 1960s illustrating the history of the T-matrix approach and demonstrating that John Fikioris and Peter Waterman were the true pioneers of the multi-sphere method otherwise known as the generalized Lorenz - Mie theory.

Complex scattering↗
NASA NTRS1976

Optimal control of a low wing-loading STOL aircraft

Linear optimal quadratic control theory is applied to a low wing-loading STOL aircraft for ride quality and flight path following. Design criteria include minimum rms response to wind turbulence and desired transient response characteristics. Design techniques include proper choosing of design versus evaluation models, choosing appropriate performance index responses, and use of classical evaluation techniques. Results are obtained through a combination of frequency response shaping and gust observation. Effects of control rate and authority saturation are examined with a new rapid calculation of random input describing functions. Parameter sensitivity is also evaluated using a Liapunov type matrix equation.

Cunningham, T. B.↗
NASA NTRS1996

Kinetics of Diffusional Droplet Growth in a Liquid/Liquid Two-Phase System

We address the problem of diffusional interactions in a finite sized cluster of spherical particles for volume fractions, V(sub v) in the range 0-0.01. We determined the quasi-static monopole diffusion solution for n particles distributed at random in a continuous matrix. A global mass conservation condition is employed, obviating the need for any external boundary condition. The numerical results provide the instantaneous (snapshot) growth or shrinkage rate of each particle, precluding the need for extensive time-dependent computations. The close connection between these snapshot results and the coarsegrained kinetic constants are discussed. A square-root dependence of the deviations of the rate constants from their zero volume fraction value is found for the higher V(sub v) investigated. This behavior is consistent with predictions from diffusion Debye-Huckel screening theory. By contrast, a cube-root dependence, reported in earlier numerical studies, is found for the lower V(sub v) investigated. The roll-over region of the volume fraction where the two asymptotics merge depends on the number of particles, n, alone. A theoretical estimate for the roll-over point predicts that the corresponding V(sub v) varies as n(sup -2), in good agreement with the numerical results.

Glicksman, M. E.↗
DOE OSTI2023

Pseudorandomness from Subset States

We show it is possible to obtain quantum pseudorandomness and pseudoentanglement from random subset states -- i.e. quantum states which are equal superpositions over (pseudo)random subsets of strings. This answers an open question of Aaronson et al. [arXiv:2211.00747], who devised a similar construction augmented by pseudorandom phases. Our result follows from a direct calculation of the trace distance between t copies of random subset states and the Haar measure, via the representation theory of the symmetric group. We show that the trace distance is negligibly small, as long as the subsets are of an appropriate size which is neither too big nor too small. In particular, we analyze the action of basis permutations on the symmetric subspace, and show that the largest component is described by the Johnson scheme: the double-cosets of the symmetric group S N by the subgroup S t x S N-t . The Gelfand pair property of this setting implies that the matrix eigenbasis coincides with the symmetric group irreducible blocks, with the largest eigenblock asymptotically approaching the Haar average. An immediate corollary of our result is that quantum pseudorandom and pseudoentangled state ensembles do not require relative phases.

Computational Complexity (cs.CC)↗
DOE OSTI2016

First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Quickest Detection for Changes in Maximal kNN Coherence of Random Matrices

This paper addresses the problem of quickest detection of a change in the maximal coherence between columns of a n p random matrix based on a sequence of matrix observations having a single unknown change point. The random matrix is assumed to have identically distributed rows and the maximal coherence is defined as the largest of the ( 2 p) correlation coefficients associated with any row. Likewise the κ nearest neighbor (kNN) coherence is defined as the κ-th largest of these correlation coefficients. The forms of the preand postchange distributions of the observed matrices are assumed to belong to the family of elliptically contoured densities with sparse dispersion matrices but are otherwise unknown. A nonparametric stopping rule is proposed that is based on the maximal kNN sample coherence between columns of each observed random matrix. This is a summary statistic that is related to a test of existence of a hub vertex in a sample correlation graph having degree at least κ. Performance bounds on the delay and false alarm performance of the proposed stopping rule are obtained in the purely high-dimensional regime where p → ∞ and n is fixed. When the prechange dispersion matrix is diagonal it is shown that, among all functions of the proposed summary statistic, the proposed stopping rule is asymptotically optimal under a minimax quickest change detection model as the stopping threshold approaches infinity. Furthermore, the theory developed also applies to sequential hypothesis testing and fixed sample size tests.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
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 OSTI2016

Purcell effect at the percolation transition

Here, we investigate the spontaneous emission rate of a two-level quantum emitter next to a composite medium made of randomly distributed metallic inclusions embedded in a dielectric host matrix. In the near field, the Purcell factor can be enhanced by two orders of magnitude relative to the case of a homogeneous metallic medium and reaches its maximum precisely at the insulator-metal transition. By unveiling the role of the decay pathways in the emitter's lifetime, we demonstrate that, close to the percolation threshold, the radiation emission process is dictated by electromagnetic absorption in the heterogeneous medium. We show that our findings are robust against change in material properties and shape of inclusions and apply for different effective-medium theories as well as for a wide range of transition frequencies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Statistical Hauser-Feshbach theory with width-fluctuation correction including direct reaction channels for neutron-induced reactions at low energies

Here, a model to calculate particle-induced reaction cross sections with statistical Hauser-Feshbach theory including direct reactions is given. The energy average of the scattering matrix from the coupled-channels optical model is diagonalized by the transformation proposed by Engelbrecht and Weidenmüller [C. A. Engelbrecht and H. A. Weidenmüller, Phys. Rev. C 8, 859 (1973)]. The ensemble average of S -matrix elements in the diagonalized channel space is approximated by a model of Moldauer [P. A. Moldauer, Phys. Rev. C 12, 744 (1975)] using the newly parametrized channel degree-of-freedom ν a to better describe the Gaussian orthogonal ensemble (GOE) reference calculations. The Moldauer approximation is confirmed by a Monte Carlo study using a randomly generated S matrix, as well as the GOE threefold integration formula. Lastly, the method proposed is applied to the 238U(n,n') cross-section calculation in the fast-energy range, showing an enhancement in the inelastic scattering cross sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Uncertainty quantification in (α,n) neutron source calculations for an oxide matrix

Here we present a methodology to propagate nuclear data covariance information in neutron source calculations from (α,n) reactions. The approach is applied to estimate the uncertainty in the neutron generation rates for uranium oxide fuel types due to uncertainties on 1) 17,18 O( α,n) reaction cross sections and 2) uranium and oxygen stopping power cross sections. The procedure to generate reaction cross section covariance information is based on the Bayesian fitting method implemented in the R-matrix SAMMY code. The evaluation methodology uses the Reich-Moore approximation to fit the 17,18 O(α,n) reaction cross-sections in order to derive a set of resonance parameters and a related covariance matrix that is then used to calculate the energydependent cross section covariance matrix. The stopping power cross sections and related covariance information for uranium and oxygen were obtained by the fit of stopping power data in the -energy range of 1 keV up to 12 MeV. Cross section perturbation factors based on the covariance information relative to the evaluated 17,18 O( α,n) reaction cross sections, as well as uranium and oxygen stopping power cross sections, were used to generate a varied set of nuclear data libraries used in SOURCES4C and ORIGEN for inventory and source term calculations. The set of randomly perturbed output (α,n) source responses, provide the mean values and standard deviations of the calculated responses reflecting the uncertainties in nuclear data used in the calculations. Lastly, the results and related uncertainties are compared with experiment thick target (α,n) yields for uranium oxide.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Matrix Diffusion in Fractured Media: New Insights Into Power Law Scaling of Breakthrough Curves

Here, we develop a theoretical model for power law tailing behavior of transport in fractured rock based on the relative dominance of the decay rate of the advective travel time distribution, modeled using a Pareto distribution (with tail decaying as ~ time -(1+α) ), versus matrix diffusion, modeled using a Lévy distribution. The theory predicts that when the advective travel time distribution decays sufficiently slowly (α<1), the late-time decay rate of the breakthrough curve is -(1+α/2) rather than the classical -3/2. Yet, if α>1, the -3/2 decay rate is recovered. For weak matrix diffusion or short advective first breakthrough times, we identify an early-time regime where the breakthrough curve follows the Pareto distribution, before transitioning to the late-time decay rate. The theoretical predictions are validated against particle tracking simulations in the three-dimensional discrete fracture network simulator dfnWorks, where matrix diffusion is incorporated using a time domain random walk.

58 GEOSCIENCES↗
NASA NTRS2017

Modeling of Electromagnetic Scattering by Discrete and Discretely Heterogeneous Random Media by Using Numerically Exact Solutions of the Maxwell Equations

In this paper, we discuss some aspects of numerical modeling of electromagnetic scattering by discrete random medium by using numerically exact solutions of the macroscopic Maxwell equations. Typical examples of such media are clouds of interstellar dust, clouds of interplanetary dust in the Solar system, dusty atmospheres of comets, particulate planetary rings, clouds in planetary atmospheres, aerosol particles with numerous inclusions and so on. Our study is based on the results of extensive computations of different characteristics of electromagnetic scattering obtained by using the superposition T-matrix method which represents a direct computer solver of the macroscopic Maxwell equations for an arbitrary multisphere configuration. As a result, in particular, we clarify the range of applicability of the low-density theories of radiative transfer and coherent backscattering as well as of widely used effective-medium approximations.

Dlugach, Janna M.↗
NASA NTRS2015

A Numerical Solution Routine for Investigating Oxidation-Induced Strength Degradation Mechanisms in SiC/SiC Composites

The stress rupture strength of silicon carbide fiber-reinforced silicon carbide (SiCSiC) composites with a boron nitride (BN) fiber coating decreases with time within the intermediate temperature range of 700-950 C. Various theories have been proposed to explain the cause of the time dependent stress rupture strength. Some previous authors have suggested that the observed composite strength behavior is due to the inherent time dependent strength of the fibers, which is caused by the slow growth of flaws within the fibers. Flaw growth is supposedly enabled by oxidation of free carbon at the grain boundaries. The objective of this paper is to investigate the relative significance of the various theories for the time-dependent strength of SiCSiC composites. This is achieved through the development of a numerically-based progressive failure analysis routine and through the application of the routine to simulate the composite stress rupture tests. The progressive failure routine is a time marching routine with an iterative loop between a probability of fiber survival equation and a force equilibrium equation within each time step. Failure of the composite is assumed to initiate near a matrix crack and the progression of fiber failures occurs by global load sharing. The probability of survival equation is derived from consideration of the strength of ceramic fibers with randomly occurring and slow growing flaws as well as the mechanical interaction between the fibers and matrix near a matrix crack. The force equilibrium equation follows from the global load sharing presumption. The results of progressive failure analyses of the composite tests suggest that the relationship between time and stress-rupture strength is attributed almost entirely to the slow flaw growth within the fibers. Although other mechanisms may be present, they appear to have only a minor influence on the observed time dependent behavior.

degradation↗