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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
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 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 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 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↗
DOE OSTI2015

Matrix-filler interfaces and physical properties of metal matrix composites with negative thermal expansion manganese nitride

Copper matrix composites containing antiperovskite manganese nitrides with negative thermal expansion (NTE) were formed using pulsed electric current sintering. Energy dispersive X-ray spectroscopy revealed that the chemically reacted region extends over 10 μm around the matrix–filler interfaces. The small-size filler was chemically deteriorated during formation of composites and it lost the NTE property. Therefore, we produced the composites using only the nitride particles having diameter larger than 50 μm. The large-size filler effectively suppressed the thermal expansion of copper and improved the conductivity of the composites to the level of pure aluminum. The present composites, having high thermal conductivity and low thermal expansion, are suitable for practical applications such as a heat radiation substrate for semiconductor devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A fast two-stage algorithm for non-negative matrix factorization in smoothly varying data

This article reports the study of algorithms for non-negative matrix factorization (NMF) in various applications involving smoothly varying data such as time or temperature series diffraction data on a dense grid of points. Utilizing the continual nature of the data, a fast two-stage algorithm is developed for highly efficient and accurate NMF. In the first stage, an alternating non-negative least-squares framework is used in combination with the active set method with a warm-start strategy for the solution of subproblems. In the second stage, an interior point method is adopted to accelerate the local convergence. The convergence of the proposed algorithm is proved. The new algorithm is compared with some existing algorithms in benchmark tests using both real-world data and synthetic data. Furthermore, the results demonstrate the advantage of the algorithm in finding high-precision solutions.

interior point method↗
DOE OSTI2018

Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method

Objective: The aim of this study was to identify major matrix metalloproteinase-20 (MMP20) proteolytic processing products of amelogenin over time and determine if the tyrosine-rich amelogenin peptide (TRAP) was a substrate of MMP20. Design: Recombinant 15N-labeled murine amelogenin and 13C,15N-labeled TRAP were incubated with MMP20 under conditions where amelogenin self-assembles into nanospheres. Digestion products were fractionated by reverse-phase high-performance liquid chromatography at various time points. Product identification took advantage of the intrinsic disorder property of amelogenin that results in little change to its fingerprint 1H-15N heteronuclear single-quantum coherence nuclear magnetic resonance spectrum in 2% acetic acid upon removing parts of the protein, allowing cleavage site identification by observing which amide cross peaks disappear. Results: The primary product in five out of the six major reverse-phase high-performance liquid chromatography bands generated after a 24 hour incubation of murine amelogenin with MMP20 were: S55-L163, P2-L147, P2-E162, P2-A167, and P2-R176. After 72 hours these products were replaced with five major reverse-phase high-performance liquid chromatography bands containing: L46-A170, P2-S152, P2-F151, P2-W45, and short N-terminal peptides. TRAP was completely digested by MMP20 into multiple small peptides with the initial primary site of cleavage between S16 and Y17. Conclusions: Identification of the major MMP20 proteolytic products of amelogenin confirm a dynamic process, with sites towards the C-terminus more rapidly attacked than sites near the N-terminus. This observation is consistent with nanosphere models where the C-terminus is exposed and the N-terminus more protected. One previously reported end-product of the MMP20 proteolytic processing of amelogenin, TRAP, is shown to be an in vitro substrate for MMP20.

amelogenesis imperfecta, protease, amelogenin, ena↗
DOE OSTI2017

Extraction chromatographic separations of tantalum and tungsten from hafnium and complex matrix constituents

Ta, Hf, and W analyses from complex matrices (including environmental samples) require high purification of these analytes from each other and major/trace matrix constituents, however, current state-of-the-art Ta/Hf/W separations rely on traditional anion exchange approaches that suffer from relatively similar distribution coefficient (Kd) values for these analytes. This work reports assessment of three commercially available extraction chromatographic resins (TEVA, TRU, and UTEVA) for Ta/Hf/W separations. Batch contact studies show differences in Ta/W,Hf Kd values of up to 106, representing an improvement of a factor of 100 and 300 in Ta/Hf and Ta/W Kd values (respectively) over AG1x4 resin. Variations in the Kd values as a function of HCl concentration for TRU resin show that this resin is well suited for Ta/Hf/W separations, with Ta/Hf, Ta/W, and W/Hf Kd value improvements of 10, 200, and 30 (respectively) over AG1x4 resin. Finally, analyses of digested soil samples (NIST 2710a) using TRU resin and tandem TEVA-TRU columns demonstrate the ability to achieve extremely high purification (>99%) of Ta and W from each other and Hf, as well as enabling very high purification of Ta and W from the major and trace elemental constituents present in soils, using a single chromatographic step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Effect of the thermionic emission on the recombination and electron beam induced current contrast at the interface of a metallic precipitate embedded in a semiconductor matrix

The barrier height and the recombination velocity at the interface between a metallic precipitate and a semiconductor matrix are investigated with a new self consistent procedure based both on the analysis of the recombination and emission balance rates for electrons and holes and on the determination of the size-dependent electronic structure of the embedded precipitate. In the present work, the precipitate is modeled within the spherical well potential framework. The main result is the dependence of the recombination features on the electronic structure of the metal precipitate unlike the models based only on the Shockley-Read-Hall theory. The behaviors of the surface charge density on the metallic precipitate and the barrier height versus the precipitate size are similar to our previous studies. Unlike previous works, the recombination velocity reaches a constant non-zero value for sizes smaller than a critical size which is dependent on the defect concentration at the interface. The new dependencies of the recombination parameters are illustrated by the calculation of the electron beam induced current (EBIC) contrast at the interface.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Secondary γ-ray decays from the partial-wave $\textit{T}$ matrix with an $\textit{R}$-matrix application to 15 N($p, α_1γ$) 12 C

The secondary γ rays emitted following a nuclear reaction are frequently relatively straightforward to detect experimentally. Despite the large volume of such data, a practical formalism for describing these γ rays in terms of partial-wave $\textit{T}$-matrix elements has never been given. The partial-wave formalism is applicable when $\textit{R}$-matrix methods are used to describe the reaction in question. This paper supplies the needed framework, and it is demonstrated by the application to the 15 N($p, α_1γ$) 12 C reaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Measurement of the decay B → D ℓ ν ℓ in fully reconstructed events and determination of the Cabibbo-Kobayashi-Maskawa matrix element | V c b |

We present a determination of the magnitude of the Cabibbo-Kobayashi-Maskawa matrix element |Vcb| using the decay B → Dℓν ℓ (ℓ = e,μ) based on 711 fb –1 of e + e – → Υ(4S) data recorded by the Belle detector and containing 772 × 10 6 BB¯ pairs. Here, one B meson in the event is fully reconstructed in a hadronic decay mode, while the other, on the signal side, is partially reconstructed from a charged lepton and either a D + or D 0 meson in a total of 23 hadronic decay modes. The isospin-averaged branching fraction of the decay B → Dℓν ℓ is found to be B(B 0 → D – ℓ + ν ℓ ) = (2.31 ± 0.03(stat) ± 0.11(syst))%. Analyzing the differential decay rate as a function of the hadronic recoil with the parametrization of Caprini, Lellouch, and Neubert and using the form-factor prediction G(1) = 1.0541 ± 0.0083 calculated by FNAL/MILC, we obtain η EW |V cb | = (40.12 ± 1.34) × 10 –3 , where ηEW is the electroweak correction factor. Alternatively, assuming the model-independent form-factor parametrization of Boyd, Grinstein, and Lebed and using lattice QCD data from the FNAL/MILC and HPQCD collaborations, we find η EW |V cb | = (41.10 ± 1.14) × 10 –3 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Controlling excited-state contamination in nucleon matrix elements

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1-flavor ensemble with lattices of size 32 3 × 64 generated using the rational hybrid Monte Carlo algorithm at 𝑎 = 0.081 fm and with 𝑀 𝜋 = 312 MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a 2-state fit to data at multiple values of the source-sink separation 𝑡 sep . We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost effectiveness. Here a detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of 𝑡 sep needed to demonstrate convergence of the isovector charges of the nucleon to the 𝑡 sep → ∞ estimates is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗