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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Sulfide glass solid-state electrolyte separators for Li metal batteries: using an interlayer to increase rate performance and reduce stack pressure

We report on the solubility of (Li 2 S) 60 (SiS 2 ) x (P 2 S 5 ) 40–x , (0 ≤ x ≤ 40) sulfide glass solid-state electrolytes in the 1:1 (v/v) DME:DOL solvent mixture, a popular choice for lithium metal battery liquid electrolytes. SiS 2 -rich glasses within the compositional range of (Li 2 S) 60 (SiS 2 ) x (P 2 S 5 ) 40–x (28 ≤ x ≤ 40) were found to be functionally insoluble in DME:DOL. Hybrid symmetric test cells with a thin liquid electrolyte layer (0.6 M LiTFSI + 0.4 M LiNO 3 in 1:1 (v/v) DME:DOL) at the interface between lithium metal electrodes and an insoluble (Li 2 S) 60 (SiS 2 ) 28 (P 2 S 5 ) 12 glass wafer were tested. Hybrid test cells delivered a critical current density of 3.0 mA cm –2 at 25 °C and 0.1 MPa, which is nearly double the CCD of comparable dry symmetric test cells cycled at 10× higher stack pressure.

25 ENERGY STORAGE↗
DOE OSTI2015

A highly specific test for periodicity

We present a method that allows to distinguish between nearly periodic and strictly periodic time series. To this purpose, we employ a conservative criterion for periodicity, namely, that the time series can be interpolated by a periodic function whose local extrema are also present in the time series. Our method is intended for the analysis of time series generated by deterministic time-continuous dynamical systems, where it can help telling periodic dynamics from chaotic or transient ones. We empirically investigate our method's performance and compare it to an approach based on marker events (or Poincaré sections). We demonstrate that our method is capable of detecting small deviations from periodicity and outperforms the marker-event-based approach in typical situations. Our method requires no adjustment of parameters to the individual time series, yields the period length with a precision that exceeds the sampling rate, and its runtime grows asymptotically linear with the length of the time series.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Performance and Reliability of Bonded Interfaces for High-Temperature Packaging

The presentation focuses on mechanical characterization, reliability evaluation and thermomechanical modeling of sintered silver bonded interface material. Two types of sintered silver material are being investigated in this study - first one based on nanosilver particles and the other one comprising of a mixture of nanosilver particles and micron-sized silver flakes. Shear stress results obtained as a function of displacement rates and ambient temperature are reported. Also, scanning acoustic microscopy images of samples for accelerated testing and thermomechanical modeling results are presented.

25 ENERGY STORAGE↗
DOE OSTI2022

Studying Performance Portability of LAMMPS across Diverse GPU-based Platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA’s fast-fourier transform (FFT) library, and, more recently, also support for AMD’s Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting com- munication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. The selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard-Jones potentials on Crusher and Summit.

Hagerty, Nick↗
DOE OSTI2018

Mechanistic Study of Lead Adsorption on Activated Carbon

Activated carbon (AC) is a carbonaceous material broadly applied in filters to remove lead (Pb(II)) from drinking water through adsorption. However, the chemical interactions between Pb(II) and the reactive sites on AC or other carbonaceous materials are not well understood, yet. The understanding of the mechanism of Pb(II) adsorption onto AC would allow to optimally design AC-based materials even in the presence of a complex liquid phase. Here in this paper, the interaction between Pb(II) and functional groups on AC was investigated at the molecular scale to help identifying the chemical reactions at the solid-liquid interface. Spectroscopic analyses and chemical quantum calculations were performed and indicated the formation of monodentate mononuclear Pb(II)-phenol and bidentate mononuclear Pb(II)-carboxyl complexes on AC. Competitive adsorption behavior was observed between Pb(II) and calcium (Ca(II)) because of their similar adsorption configurations on AC. In contrast, anions, including sulfate and phosphate, were observed to enhance Pb(II) adsorption on AC by forming ternary complexes. On the basis of these observations, a new surface complexation model of Pb(II) adsorption onto AC was formulated and validated with batch tests. Overall, this work presents a new set of chemical reactions at the solid-liquid interface between Pb(II) and AC under various conditions of interest for the application of AC or other carbonaceous materials in water treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Bioinspired Design Provides High-Strength Benzoxazine Structural Adhesives

A synthetic strategy to incorporate catechol functional groups into benzoxazine thermoset monomers was developed, leading to a family of bioinspired small-molecule resins and main-chain polybenzoxazines derived from biologically available phenols. Lap-shear adhesive testing revealed a polybenzoxazine derivative with greater than 5 times improved shear strength on aluminum substrates compared to a widely studied commercial benzoxazine resin. Derivative synthesis identified the catechol moiety as an important design feature in the adhesive performance and curing behavior of this bioinspired thermoset. Favorable mechanical properties comparable to commercial resin were maintained, and glass transition temperature and char yield under nitrogen were improved. Blending of monomers with bioinspired main-chain polybenzoxazine derivatives provided formulations with enhanced shear adhesive strengths up to 16 MPa, while alloying with commercial core-shell particle-toughened epoxy resins led to shear strengths exceeding 20 MPa. These results highlight the utility of bioinspired design and the use of biomolecules in the preparation of high-performance thermoset resins and adhesives with potential utility in transportation and aerospace industries and applications in advanced composites synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A generalized power-law criterion for rocks based on Mohr failure theory

Nonlinearity of Mohr envelopes confirmed by past laboratory test data can be of considerable importance in theoretical interpretation of rock strength behaviors and many practical applications. Current nonlinear failure criteria are introduced with parameters to empirically fit test data, and the physical and mechanical meanings of these fitting parameters are often not known. Predicted strengths by theoretical criteria (e.g., Griffith criterion) generally do not agree well with test data. Considering the nonlinear properties of a Mohr envelope, a nonlinear failure criterion in a generalized power-law form is derived in this paper based on strength magnitude coefficient (a) and failure envelope curvature coefficient (n) which are expressed in terms of uniaxial tensile strength, uniaxial compressive strength, and angle of internal friction. Test data on granite, marble, dolomite, and andesite from published literature were chosen to test the performance of the proposed criterion along with Griffith and Hoek-Brown criteria. Statistical analysis was performed to evaluate the application of different criteria in predicting the strength of rocks. In addition, some Griffith-typed criteria are mathematically shown to be the special cases of the proposed criterion. The proposed and Hoek-Brown criteria have similar power-law forms with a significant difference in the coefficient functions that govern the shear strength magnitude of rock. The different tensile and compressive failure mechanisms are also investigated from the perspective of the relationship between the uniaxial tension Mohr circle and the proposed failure envelope.

58 GEOSCIENCES↗
DOE OSTI2022

Feasible region-based heuristics for optimal transmission switching

In this paper, we develop a optimal transmission switching (OTS) heuristic based on DC optimal power flow (OPF) and assess the efficacy of the approach when implemented within AC OPF. Traditional formulations of the OTS problem can result in hundreds or thousands of binary variables for large networks, making the OTS problem challenging to solve on fast timescales even for relatively small networks. Here, we identify which constraints and therefore which variables are constraining the DC OPF feasible region, and rank them based on their impact on the cost function. We develop a heuristic algorithm which iteratively removes these constraints and solves a series of standard DC OPF problems. The heuristic is tested on a variety of PGlib networks and the results show that the algorithm can provide substantial cost decreases without having to solve any mixed integer programs. Additionally, we provide insights about the OTS problem, including identifying scenarios outside congestion where OTS can prove useful. Lastly, the performance of the DC-based heuristic is shown when the line switching decisions are implemented within AC OPF.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Electronic Structural Optimization of the Air Electrodes for Reversible Protonic Ceramic Electrochemical Cells via IIIA Cation Doping

Reversible protonic ceramic electrochemical cells (R-PCECs) have emerged as a novel technology for clean and efficient energy generation and storage. Improving the oxygen and proton conduction characteristics and stability of air electrodes at intermediate temperatures is crucial for achieving a high performance. Herein, we optimize the electronic structure of a state-of-the-art PrBa 0.8 Ca 0.2 Co 2 O 5+δ (PBCC) air electrode via doping IIIA cations (Al 3+ , Ga 3+ , and In 3+ ). Also, it is shown that PrBa 0.8 Ca 0.2 Co 1.9 Ga 0.10 O 5+δ (PBCCGa 0.10 ) exhibits improved oxygen reaction activity and hydration capability. Density functional theory calculations confirm that Ga doping provides the most favorable electronic structure. An R-PCEC with PBCCGa 0.10 achieves a peak power density of 2.21 W cm -2 and a current density of −4.64 A cm -2 at 1.3 V at 650 °C. Additionally, the PBCCGa 0.10 electrode performs good operational stability in FC mode (for about 100 h), EC mode (for about 100 h), and reversible cyclic testing (over 200 h) at 600 °C.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

The CARIBU EBIS control and synchronization system

The Californium Rare Isotope Breeder Upgrade (CARIBU) Electron Beam Ion Source (EBIS) charge breeder has been built and tested. The bases of the CARIBU EBIS electrical system are four voltage platforms on which both DC and pulsed high voltage outputs are controlled. The high voltage output pulses are created with either a combination of a function generator and a high voltage amplifier, or two high voltage DC power supplies and a high voltage solid state switch. Proper synchronization of the pulsed voltages, fundamental to optimizing the charge breeding performance, is achieved with triggering from a digital delay pulse generator. The control system is based on National Instruments realtime controllers and LabVIEW software implementing Functional Global Variables (FGV) to store and access instrument parameters. Fiber optic converters enable network communication and triggering across the platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

MWDS-2016: THE SLOW DISSOLUTION RATE FOR PLUTONIUM NITRATE INTAKES AT THE MAYAK FACILITY

Abstract The slow dissolution rate of material deposited in the lung plays a key role in determining the eventual radiation dose received by the lung. It is therefore of great importance to establish a reliable value for this parameter, to incorporate into the latest Mayak Worker Dosimetry System (MWDS-2016). Disparate values have been obtained for the slow dissolution rate of plutonium nitrate. A volunteer study performed by Public Health England (PHE) and an analysis of United States Transuranium and Uranium Registries (USTUR) case 0269 have yielded slow dissolution rates in the region of 10–40 × 10−4 d−1. However, autopsies performed on 20 Mayak workers, exposed predominantly to nitrates, have resulted in estimates of slow dissolution rates of around 2.4 × 10−4 d−1. Three hypotheses have been proposed to explain this discrepancy: (1) a slower dissolution rate in the interstitium, (2) a third exponential component in the dissolution function and (3) a small component of oxide in the aerosol to which Mayak ‘nitrate’ workers were exposed. This paper describes tests of these competing hypotheses. Bayesian methods have been applied to the following datasets: PHE volunteer data; Beagle dog data; USTUR cases and Mayak worker data. It is concluded that a mixture of oxide and nitrate material, with the oxide forming ~14% of the intake, best describes the Mayak dissolution rate, without introducing values for other parameters which conflict with other studies.

Bull, R. K.↗
DOE OSTI2019

Enhancing Distribution System Resiliency through a Novel Transactive Energy Systems Framework

Restoration of end-use loads during bulk transmission system outages is a key challenge for electric utilities. During those outages, utilities often do not have enough resources to fully restore the end-use loads. Additionally, not all available switching options are feasible due to voltage and load limits. Incentivizing non-utility flexible assets to provide their flexibility during resiliency events is a potential solution to improve resiliency. This paper presents a new transactive energy system framework (TESF) to incentivize distributed energy resources (DERs) to provide reactive power for supporting the self-healing functions of distribution management system (DMS). TESF engages non-utility DERs during resiliency events by incentivizing them through transactive signals computed using marginal cost of producing reactive power and marginal benefit of additional switching operations. TESF calculates additional switching options, which DMS then leverages to identify new optimal switching plans to restore additional loads. Test system consisting of multiple IEEE-13 node distribution feeders is used to demonstrate the performance of the proposed method. For the given system configuration and use-case, TESF results in 24.82 % additional load restoration and one additional switching operation.

Distribution system, reconfiguration, resiliency, ↗
DOE OSTI2022

Reinforcement Learning for Volt- Var Control: A Novel Two-stage Progressive Training Strategy

This paper develops a reinforcement learning (RL) approach to solve a cooperative, multi-agent Volt-Var Control (VVC) problem for high solar penetration distribution systems. The ingenuity of our RL method lies in a novel two-stage progressive training strategy that can effectively improve training speed and convergence of the machine learning algorithm. In Stage 1 (individual training), while holding all the other agents inactive, we separately train each agent to obtain its own optimal VVC actions in the action space: fconsume, generate, do-nothingg. In Stage 2 (cooperative training), all agents are trained again coordinatively to share VVC responsibility. Rewards and costs in our RL scheme include (i) a system-level reward (for taking an action), (ii) an agent-level reward (for doing-nothing), and (iii) an agent-level action cost function. This new framework allows rewards to be dynamically allocated to each agent based on their contribution while accounting for the trade-off between control effectiveness and action cost. The proposed methodology is tested and validated in a modified IEEE 123-bus system using realistic PV and load profiles. Simulation results confirm that the proposed approach is robust and computationally efficient; and it achieves desirable volt-var control performance under a wide range of operation conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

MO-FG-204-06: A New Algorithm for Gold Nano-Particle Concentration Identification in Dual Energy CT

Purpose: Gold nano-particle (GNP) has recently attracted a lot of attentions due to its potential as an imaging contrast agent and radiotherapy sensitiser. Imaging the GNP at its low contraction is a challenging problem. We propose a new algorithm to improve the identification of GNP based on dual energy CT (DECT). Methods: We consider three base materials: water, bone, and gold. Determining three density images from two images in DECT is an under-determined problem. We propose to solve this problem by exploring image domain sparsity via an optimization approach. The objective function contains four terms. A data-fidelity term ensures the fidelity between the identified material densities and the DECT images, while the other three terms enforces the sparsity in the gradient domain of the three images corresponding to the density of the base materials by using total variation (TV) regularization. A primal-dual algorithm is applied to solve the proposed optimization problem. We have performed simulation studies to test this model. Results: Our digital phantom in the tests contains water, bone regions and gold inserts of different sizes and densities. The gold inserts contain mixed material consisting of water with 1g/cm3 and gold at a certain density. At a low gold density of 0.0008 g/cm3, the insert is hardly visible in DECT images, especially for those with small sizes. Our algorithm is able to decompose the DECT into three density images. Those gold inserts at a low density can be clearly visualized in the density image. Conclusion: We have developed a new algorithm to decompose DECT images into three different material density images, in particular, to retrieve density of gold. Numerical studies showed promising results.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Challenges of Monte Carlo Transport

These are slides from a presentation for Parallel Summer School at Los Alamos National Laboratory. Solving discretized partial differential equations (PDEs) of interest can require a large number of computations. We can identify concurrency to allow parallel solution of discrete PDEs. Simulated particles histories can be used to solve the Boltzmann transport equation. Particle histories are independent in neutral particle transport, making them amenable to parallel computation. Physical parameters and method type determine the data dependencies of particle histories. Data requirements shape parallel algorithms for Monte Carlo. Then, Parallel Computational Physics and Parallel Monte Carlo are discussed and, finally, the results are given. The mesh passing method greatly simplifies the IMC implementation and allows simple load-balancing. Using MPI windows and passive, one-sided RMA further simplifies the implementation by removing target synchronization. The author is very interested in implementations of PGAS that may allow further optimization for one-sided, read-only memory access (e.g. Open SHMEM). The MPICH_RMA_OVER_DMAPP option and library is required to make one-sided messaging scale on Trinitite - Moonlight scales poorly. Interconnect specific libraries or functions are likely necessary to ensure performance. BRANSON has been used to directly compare the current standard method to a proposed method on idealized problems. The mesh passing algorithm performs well on problems that are designed to show the scalability of the particle passing method. BRANSON can now run load-imbalanced, dynamic problems. Potential avenues of improvement in the mesh passing algorithm will be implemented and explored. A suite of test problems that stress DD methods will elucidate a possible path forward for production codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Status on the Development of a Modeling and Simulation Framework for the Economic Assessment of Nuclear Hybrid Energy

Continued effort to design and build a modeling and simulation framework to assess the economic viability of Nuclear Hybrid Energy Systems (NHES) was undertaken in fiscal year (FY) 2016. The purpose of this report is to document the various tasks associated with the development of such a framework and to provide a status of their progress. Several tasks have been accomplished. First, a synthetic time history generator has been developed in RAVEN, which consists of Fourier series and autoregressive moving average model. The former is used to capture the seasonal trend in historical data, while the latter is to characterize the autocorrelation in residue time series (e.g., measurements with seasonal trends subtracted). As demonstration, both synthetic wind speed and grid demand are generated, showing matching statistics with database. In order to build a design and operations optimizer in RAVEN, a new type of sampler has been developed with highly object-oriented design. In particular, simultaneous perturbation stochastic approximation algorithm is implemented. The optimizer is capable to drive the model to optimize a scalar objective function without constraint in the input space, while the constraints handling is a work in progress and will be implemented to improve the optimization capability. Furthermore, a simplified cash flow model of the performance of an NHES in the electric market has been developed in Python and used as external model in RAVEN to confirm expectations on the analysis capability of RAVEN to provide insight into system economics and to test the capability of RAVEN to identify limit surfaces. Finally, an example calculation is performed that shows the integration and proper data passing in RAVEN of the synthetic time history generator, the cash flow model and the optimizer. It has been shown that the developed Python models external to RAVEN are able to communicate with RAVEN and each other through the newly developed RAVEN capability called “EnsembleModel”.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Signatures of cysteine oxidation on muscle structural and contractile proteins are associated with physical performance and muscle function in older adults: Study of Muscle, Mobility and Aging (SOMMA)

Oxidative stress is considered a contributor to declining muscle function and mobility during aging; however, the underlying molecular mechanisms remain poorly described. We hypothesized that greater levels of cysteine (Cys) oxidation on muscle proteins are associated with decreased measures of mobility. Herein, we applied a novel redox proteomics approach to measure reversible protein Cys oxidation in vastus lateralis muscle biopsies collected from 56 subjects in the Study of Muscle, Mobility and Aging (SOMMA), a community-based cohort study of individuals aged 70 years and older. We tested whether levels of Cys oxidation on key muscle proteins involved in muscle structure and contraction were associated with muscle function (leg power and strength), walking speed, and fitness (VO 2 peak on cardiopulmonary exercise testing) using linear regression models adjusted for age, sex, and body weight. Higher oxidation levels of select nebulin Cys sites were associated with lower VO 2 peak, while greater oxidation of myomesin-1, myomesin-2, and nebulin Cys sites was associated with slower walking speed. Higher oxidation of Cys sites in key proteins such as myomesin-2, alpha-actinin-2, and skeletal muscle alpha-actin were associated with lower leg power and strength. We also observed an unexpected correlation (R = 0.48) between a higher oxidation level of eight Cys sites in alpha-actinin-3 and stronger leg power. Despite this observation, the results generally support the hypothesis that Cys oxidation of muscle proteins impairs muscle power and strength, walking speed, and cardiopulmonary fitness with aging.

59 BASIC BIOLOGICAL SCIENCES↗