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At least 91 records · Page 5

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DOE OSTI2020

The matrix product approximation for the dynamic cavity method

Stochastic dynamics of classical degrees of freedom, defined on vertices of locally tree-like graphs, can be studied in the framework of the dynamic cavity method which is exact for tree graphs. Such models correspond for example to spin-glass systems, Boolean networks, neural networks, and other technical, biological, and social networks. The central objects in the cavity method are edge messages—conditional probabilities of two vertex variable trajectories. In this paper, we discuss a rather pedagogical derivation for the dynamic cavity method, give a detailed account of the novel matrix product edge message (MPEM) algorithm for the solution of the dynamic cavity equation as introduced, and present optimizations and extensions. Matrix product approximations of the edge messages are constructed recursively in an iteration over time. Computation costs and precision can be tuned by controlling the matrix dimensions of the MPEM in truncations. Without truncations, the dynamics is exact. Data for Glauber–Ising dynamics shows a linear growth of computation costs in time. In contrast to Monte Carlo simulations, the approach has a much better error scaling. Hence, it gives for example access to low probability events and decaying observables like temporal correlations. Here, we discuss optimized truncation schemes and an extension that allows to capture models which have a continuum time limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

An ICME Modeling Framework for Metal Matrix Composites Focusing on Ultrahigh Temperature Matrix Material and Tungsten Carbide Reinforcement Particulate (Final CRADA Report)

Ultra High Temperature Metal Matrix Composites (UHT-MMCs) are of interest to the due to their potential defense and aerospace applications. These materials consist of a metal matrix reinforced with a stiff ceramic or cermet. Based on a preliminary literature survey, this project will focused on a pure titanium (Ti) matrix reinforced with tungsten carbide-cobalt (WC-Co). UHT-MMC technology is still at a nascent stage of development and requires extensive experimental work to optimize the structure and resulting material properties of a particular UHT-MMC material system. An accurate and complete high-performance computing (HPC) model of the Ti/WC-Co material system could greatly accelerate the development and deployment Ti/WC-Co materials by connecting processing parameters to material properties. This type of model could then be used in an integrated computational materials engineering approach to optimize the material structure to achieve a targeted level of performance.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Optical matrix-matrix multiplication method demonstrated by the use of a multifocus hololens

A method of optical matrix-matrix multiplication is presented. The feasibility of the method is also experimentally demonstrated by the use of a dichromated-gelatin multifocus holographic lens (hololens). With the specific values of matrices chosen, the average percentage error between the theoretical and experimental data of the elements of the output matrix of the multiplication of some specific pairs of 3 x 3 matrices is 0.4 percent, which corresponds to an 8-bit accuracy.

Liu, H. K.↗

NASA NTRS1987

Ceramic matrix and resin matrix composites: A comparison

The underlying theory of continuous fiber reinforcement of ceramic matrix and resin matrix composites, their fabrication, microstructure, physical and mechanical properties are contrasted. The growing use of organometallic polymers as precursors to ceramic matrices is discussed as a means of providing low temperature processing capability without the fiber degradation encountered with more conventional ceramic processing techniques. Examples of ceramic matrix composites derived from particulate-filled, high char yield polymers and silsesquioxane precursors are provided.

Hurwitz, Frances I.↗

NASA NTRS1987

Ceramic matrix and resin matrix composites - A comparison

Hurwitz, Frances I.↗

NASA NTRS1988

Fatigue damage criteria - Matrix, fibers and interfaces of continuous fiber reinforced metal matrix composites

Continuous fiber reinforced metal matrix composites (MMC) are projected for use in high temperature, stiffness critical parts that will be subjected to cyclic loadings. Depending on the relative fatigue behavior of the fiber and matrix, and the interface properties, the failure modes of MMC can be grouped into four catagories: (1) matrix dominated, (2) fiber dominated, (3) self-similar damage growth, and (4) fiber/matrix interfacial failures. These four types of damage are discussed and illustrated by examples. The emphasis is on the fatigue of unnotched laminates.

Johnson, W. S.↗

NASA NTRS1993

Fatigue-life behavior and matrix fatigue crack spacing in unnotched SCS-6/Timetal 21S metal matrix composites

Fatigue tests of the SCS-6/Timetal 21S composite system were performed to characterize the fatigue behavior for unnotched conditions. The stress-life behavior of the unnotched (9/90)2s laminates was investigated for stress ratios of R = 0.1 and R = 0.3. The occurrence of matrix cracking was also examined in these specimens. This revealed multiple matrix crack initiation sites throughout the composite, as well as evenly spaced surface cracks along the length of the specimens. No difference in fatigue lives were observed for stress ratios of R = 0.1 and R = 0.3 when compared on a stress range basis. The unnotched SCS-6/Timetal 21S composites had shorter fatigue lives than the SCS-6/Ti-15-3 composites, however the neat Timetal 21S matrix material had a longer fatigue life than the neat Ti-15-3.

Ward, G. T.↗

NASA NTRS2016

Stochastic-Strength-Based Damage Simulation Tool for Ceramic Matrix and Polymer Matrix Composite Structures

Stochastic-based, discrete-event progressive damage simulations of ceramic-matrix composite and polymer matrix composite material structures have been enabled through the development of a unique multiscale modeling tool. This effort involves coupling three independently developed software programs: (1) the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC), (2) the Ceramics Analysis and Reliability Evaluation of Structures Life Prediction Program (CARES/ Life), and (3) the Abaqus finite element analysis (FEA) program. MAC/GMC contributes multiscale modeling capabilities and micromechanics relations to determine stresses and deformations at the microscale of the composite material repeating unit cell (RUC). CARES/Life contributes statistical multiaxial failure criteria that can be applied to the individual brittle-material constituents of the RUC. Abaqus is used at the global scale to model the overall composite structure. An Abaqus user-defined material (UMAT) interface, referred to here as "FEAMAC/CARES," was developed that enables MAC/GMC and CARES/Life to operate seamlessly with the Abaqus FEA code. For each FEAMAC/CARES simulation trial, the stochastic nature of brittle material strength results in random, discrete damage events, which incrementally progress and lead to ultimate structural failure. This report describes the FEAMAC/CARES methodology and discusses examples that illustrate the performance of the tool. A comprehensive example problem, simulating the progressive damage of laminated ceramic matrix composites under various off-axis loading conditions and including a double notched tensile specimen geometry, is described in a separate report.

composite structures↗

DOE OSTI2011

Differential cross sections and spin density matrix elements for {gamma}p {yields} {phi}p from CLAS

Preliminary differential cross-sections and the {rho}{sub MM'}{sup 0} spin density matrix elements (SDME) for the reaction {gamma}{rho} {yields} {phi}p for both charged-({phi} {yields} K{sup +}K-) and neutral-mode ({phi} {yields} K{sub L}{sup 0}K{sub S}{sup 0}) topologies obtained from CLAS are presented. Our kinematic coverage is from near production threshold ({radical}(s){approx}1.97 GeV) to ({radical}(s) 2.84 GeV), with a wide coverage in the production angle. As seen in previous LEPS results, the differential cross-sections show a localized 'bump' between ({radical}(s){approx}2 and 2.2 GeV that is not expected from a simple Pomeron exchange picture. Comparisons between the charged- and neutral-mode results and possible effects from the K{sup +}{Lambda}(1520) channel are discussed. Our SDME results confirm the well-known deviations from t-channel helicity conservation (TCHC) for Pomeron exchange, but s-channel helicity conservation (SCHC) is also seen to be broken.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2010

Measurement of the WW+WZ production cross section using a matrix element technique in lepton+jets events

We present a measurement of the WW+WZ production cross section observed in a final state consisting of an identified electron or muon, two jets, and missing transverse energy. The measurement is carried out in a data sample corresponding to up to 4.6 fb{sup -1} of integrated luminosity at {radical}(s)=1.96 TeV collected by the CDF II detector. Matrix element calculations are used to separate the diboson signal from the large backgrounds. The WW+WZ cross section is measured to be 17.4{+-}3.3 pb in agreement with standard model predictions. A fit to the dijet invariant mass spectrum yields a compatible cross section measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2010

Efficient Sparse Matrix-Matrix Multiplication on Heterogeneous High Performance Systems

The efficient implementation of sparse matrix-matrix multiplications on high performance parallel machines poses several challenges: large size of input matrices, compressed representation, density of the output matrices, partitioning and load balancing of matrices that present parts with large differences in density and, thus, in computation times. In this paper we show how, starting from the requirements of such application, we developed a framework that allows its efficient implementation on heterogeneous clusters. We introduce a task based programming model and a runtime supported execution model which provides dynamic load balancing on clusters composed by CPUs and GPUs, allowing better utilization of the system while easing the handling of sparse matrices. Our results show that our solution, which co-designs the application together with the programming model and the runtime system, is able to obtain significant speed-ups due to a virtually perfect load balancing with respect to other programming approaches.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Use of Mesoscopic Host Matrix to Induce Ferrimagnetism in Antiferromagnetic Spinel Oxide [Use of Mesoscopic Host Matrix for Ferrimagnetism in Antiferromagnetic Spinel Oxide]

Despite the advances in the methods for fabricating nanoscale materials, critical issues remain, such as the difficulties encountered in anchoring, and the deterioration in their stability after integration with other components. These issues need to be addressed to further increase the scope of their applicability. In this study, using epitaxial mesoscopic host matrices, materials are spatially confined at the nanoscale, and are supported, anchored, and stabilized. They also exhibit properties distinct from the bulk counterparts proving their high quality nanoscale nature. ZnFe 2 O 4 and SrTiO 3 are used as the model confined material and host matrix, respectively. The ZnFe 2 O 4 phases are spatially confined by the SrTiO 3 mesoscopic matrix and have strongly enhanced ferrimagnetic properties as compared to bulk and plain thin films of ZnFe 2 O 4 , with a Curie temperature of ≈500 K. The results of a series of control experiments and characterization measurements indicate that cationic inversion, which originates from the high interface–to–volume ratio of the ZnFe 2 O 4 phase in the ZnFe 2 O 4 –SrTiO 3 nanocomposite film, is responsible for the magnetization enhancement. An exchange bias is observed, owing to the coexistence of ferrimagnetic and antiferromagnetic regions in the confined ZnFe 2 O 4 phase. In conclusion, the magnetic properties are dependent on the ZnFe 2 O 4 crystallite size, which can be controlled by the growth conditions.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Magneto-acoustic Interfacial Reaction-Based Nanoparticle Synthesis: A Direct Path to Manufacturing Metal Matrix Nanocomposites

This work investigates a novel nanoparticle fabrication methodology: combined reaction and acoustic cavitation abrasion of a solid in contact with a liquid. Magneto-Acoustic Mixing Technology is used to produce nanometer- to micron-sized particles by chemical and acoustic mechanisms between diamond particles and a stainless steel surface in the presence of a metallic liquid (Mg), where it is found that particle–surface interactions and cavitation generate particles more efficiently together than independently, producing unique chemistries. The individual and combined influence of sonic power and chemical reaction on particle size, volume fraction, chemistry, magnetic properties, and applicability to metal matrix nanocomposite fabrication are studied.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2011

The density-matrix renormalization group in the age of matrix product states

The density-matrix renormalization group method (DMRG) has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. In the further development of the method, the realization that DMRG operates on a highly interesting class of quantum states, so-called matrix product states (MPS), has allowed a much deeper understanding of the inner structure of the DMRG method, its further potential and its limitations. In this paper, I want to give a detailed exposition of current DMRG thinking in the MPS language in order to make the advisable implementation of the family of DMRG algorithms in exclusively MPS terms transparent. I then move on to discuss some directions of potentially fruitful further algorithmic development: while DMRG is a very mature method by now, I still see potential for further improvements, as exemplified by a number of recently introduced algorithms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

The impacts of effective stress and CO 2 sorption on the matrix permeability of shale reservoir rocks [The impacts of CO 2 sorption and effective stress on the matrix permeability of shale reservoir rocks]

We assess the impacts of effective stress and CO 2 sorption on the bedding-parallel matrix permeability of the Utica shale through pressure pulse-decay experiments. We first measure permeability using argon at relatively high (14.6 MPa) and low (2.8 MPa) effective stresses to assess both pressure dependence and recoverability. We subsequently measure permeability using supercritical CO 2 and again using argon to assess changes due to CO 2 sorption. We find that injection of both argon and supercritical CO 2 reduces matrix permeability in distinct fashion. Samples with permeability higher than 10 –20 m 2 experience a large permeability reduction after treatment with argon, but a minor change after treatment with supercritical CO 2 . However, samples with permeability lower than this threshold undergo a slight change after treatment with argon, but a dramatic reduction after treatment with supercritical CO 2 . These results indicate that effective stress plays an important role in the evolution of relatively permeable facies, while CO 2 sorption dominates the change of ultra-low permeability facies. The permeability reduction due to CO 2 sorption varies inversely with initial permeability, which suggests that increased surface area from hydraulic stimulation with CO 2 may be counteracted by sorption effects in ultra-low permeability facies. As a result, we develop a conceptual model to explain how CO 2 sorption induces porosity reduction and volumetric expansion to constrict fluid flow pathways in shale reservoir rocks.

58 GEOSCIENCES↗

DOE OSTI2015

Sulfur cathode based on layered carbon matrix for high-performance Li–S batteries

A novel carbon/sulfur composite has been fabricated by means of thermal and hydro-thermal treatments to serve as the cathode in Li -S batteries. The carbon matrix consists of graphene nanosheet (GS) and multiwalled carbon nanotube (MWCNT). The "GS/MWCNT@S" composite allows for infiltration of electrolyte into the cathode, assists in entrapment of polysulfide intermediates, and accommodates some of the stress and volume expansion that occurs during charge discharge processes. In addition, the uniform distribution of sulfur in the conductive carbon matrix promotes utilization of the active materials. A Li-S cell containing the GS/MWCNT@S cathode delivered a capacity of 1290.8 mAh/g and exhibited stable specific capacities up to 612.1 mAh/g after 200 cycles at 0.1 C. These results demonstrate that this cathode material is a promising candidate for rechargeable lithium batteries with high energy density.

Carbon matrix↗

DOE OSTI2012

Tuning the properties of Ge-quantum dots superlattices in amorphous silica matrix through deposition conditions

In this work, we investigate the structural properties of Ge quantum dot lattices in amorphous silica matrix, prepared by low-temperature magnetron sputtering deposition of (Ge+SiO{sub 2})/SiO{sub 2} multilayers. The dependence of quantum dot shape, size, separation, and arrangement type on the Ge-rich (Ge + SiO{sub 2}) layer thickness is studied. We show that the quantum dots are elongated along the growth direction, perpendicular to the multilayer surface. The size of the quantum dots and their separation along the growth direction can be tuned by changing the Ge-rich layer thickness. The average value of the quantum dots size along the lateral (in-plane) direction along with their lateral separation is not affected by the thickness of the Ge-rich layer. However, the thickness of the Ge-rich layer significantly affects the quantum dot ordering. In addition, we investigate the dependence of the multilayer average atomic composition and also the quantum dot crystalline quality on the deposition parameters.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H{sub 2}/D{sub 2} + OH → H/D + H{sub 2}O/HOD

This work is concerned with the calculation of state-to-state S-matrix elements for four-atom reactions using a recently proposed method based on the quantum transition-state theory. In this approach, the S-matrix elements are computed from the thermal flux cross-correlation functions obtained in both the reactant and product arrangement channels. Since transition-state wave packets are propagated with only single arrangement channels, the bases/grids required are significantly smaller than those needed in state-to-state approaches based on a single set of scattering coordinates. Furthermore, the propagation of multiple transition-state wave packets can be carried out in parallel. This method is demonstrated for the H{sub 2}/D{sub 2} + OH → H/D + H{sub 2}O/HOD reactions (J = 0) and the reaction probabilities are in excellent agreement with benchmark results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗