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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Perovskite Sorbent Oxygen Separation Modeling with MFiX

This document chronicles the development and implementation of computational kinetic rate models that capture absorption and desorption characteristics of the National Energy Technology Laboratory (NETL) developed perovskite, Sr 1-x Ca x FeO 3-δ . Two paths to create accurate kinetic rates were followed: (1) an isothermal rate approach where thermogravimetric (TGA) data are recast as oxygen capacities through a pseudo-second order Lagergren equation (He et al., 2009); and (2) a more traditional Arrhenius approach where experimental data are fit with a power law model to derive associate activation energies (Bulfin et al., 2020a). For reference, the mathematics and associate experimental strategies that support these derivations are included in this report. In addition, computational fluid dynamics (CFD) models were developed to utilize both kinetic rate formulations and applied to simulate oxygen uptake and release in small scale scenarios. The program Multiphase Flow with interphase eXchanges (MFiX) was used to create: (1) discrete element method (DEM) simulations of a single tube of granular perovskite experiencing isothermal O 2 -absorption; and desorption and (2) two-fluid-model (TFM) non-isothermal simulations of perovskite O 2 -absorption and desorption tubes that share a wall. Conjugate heat transfer between steel walled tubes and the perovskite bed were managed with user-defined functions. As the project moves to simulating larger scale devices that will require more robust conjugate heat transfer methods, developed kinetic rates and associate methodologies have been recast for use in the ANSYS Fluent CFD program.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermal Neutron Scattering Evaluation Methods Development at ORNL [Slides]

The goal of the project was to develop a procedure to generate covariance matrix for S( α,β ) data that incorporated both computational simulations and experimental data. Experimental data and computer simulation fit is achieved using the Unified Monte Carlo (UMC) method. The framework is material & simulation method independent, and this is demonstrated using light water. A methodology was developed for generalized generation of covariances for thermal scattering files. The framework was subsequently tested on light water by generating covariance of pDOS with encouraging results. Preliminary results suggest temperature effects of polyethylene may warrant further investigation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

High Intensity Gamma Ray Source Scintillation Attenuation Spectrometer and Filter Stack Monoenergetic Calibration

The Laser-Based X-ray Radiographic Imaging team at Los Alamos National Lab is looking for a monoenergetic MeV X-ray source to both verify our Monte Carlo N-particle simulations of detector performance and calibrate the instruments for future measurements. Funded by the Laboratory Directed Research and Development (LDRD) program, our overall goal is to improve the radiographic quality and reliability of laser-based X-ray sources for deployment at both dynamic and static radiography facilities. Laser-based X-ray sources have demonstrated smaller spot sizes to current electron accelerator based sources. The smaller laser spot size leads to significantly improved resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Novel experimental probes of QCD in SIDIS and e + e - annihilation (Final Technical Report)

The research addressed with this award seeks to advance our understanding of the structure and dynamics underlying the properties of visible matter. In our current understanding the nucleons (protons and neutrons) are not fundamental but are comprised of quarks and gluons, which are collectively called partons. A static quark picture fails to explain the properties of the nucleons, such as their mass and intrinsic spin, which are thought to emerge dynamically from the quark-gluon interactions via the strong force. In this work, novel observables employing correlations of particles produced in the scattering of high energy electrons off protons at the CLAS12 experiment at Jefferson Lab were analyzed to probe quark-gluon interactions. The ultimate goal of this line of inquiry is to be able to describe the properties of protons and neutrons from first principles, similar to how studying the hydrogen atom has led to the formulation of the theory of Quantum Electrodynamics. Because quarks cannot be observed directly but only as part of more complex composite particles, a smaller, complimentary part of this work was the analysis of particle production in electron-positron annihilation at the Belle II experiment to understand the production of particles from initial quarks. This takes advantage of the fact that in e + e - annihilation the initial quark dynamics is known, unlike in the scattering of nucleons. Several new applications using Machine Learning algorithms for event tagging and reconstruction to support this program were developed as part of this award. In addition, we had a significant role in the development of the physics program for the future Electron-Ion Collider, which is a new collider to be build in the US within the next decade.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Data distribution service-based interoperability framework for smart grid testbed infrastructure

This study presents the design and implementation of a communication and control infrastructure for smart grid operation. The proposed infrastructure enhances the reliability of the measurements and control network. The advantages of utilizing the data-centric over message-centric communication approach are discussed in the context of smart grid applications. The data distribution service (DDS) is used to implement a data-centric common data bus for the smart grid. This common data bus improves the communication reliability, enabling distributed control and smart load management. These enhancements are achieved by avoiding a single point of failure while enabling peer-to-peer communication and an automatic discovery feature for dynamic participating nodes. The infrastructure and ideas presented in this paper were implemented and tested on the smart grid testbed. A toolbox and application programing interface for the testbed infrastructure are developed in order to facilitate interoperability and remote access to the testbed. This interface allows control, monitoring, and performing of experiments remotely. Furthermore, it could be used to integrate multidisciplinary testbeds to study complex cyber-physical systems (CPS).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Orson Anderson Era of Mineral Physics at Lamont in the 1960s

From 1964 to the early 1970s, Orson Anderson led a research program at the Lamont Geological Observatory in the newly-emerging field of “mineral physics”. In collaboration with colleagues Edward Schreiber and Naohiro Soga, Orson exploited the techniques of physical acoustics to study the behavior of the sound velocities of minerals at elevated pressures and temperatures. This research program also included semi-empirical studies of the relationships between the bulk modulus and the molar volume of solids, the use of lattice dynamics to calculate the elastic moduli of cubic structures as a function of pressure to predict instabilities, and theoretical investigations of the Lagrangian and Eulerian formulations of finite strain equations of state.

58 GEOSCIENCES↗
DOE OSTI2022

The Time Domain Spectroscopic Survey: Changing-look Quasar Candidates from Multi-epoch Spectroscopy in SDSS-IV

Active galactic nuclei (AGN) can vary significantly in their rest-frame optical/UV continuum emission, and with strong associated changes in broad line emission, on much shorter timescales than predicted by standard models of accretion disks around supermassive black holes. Most such changing-look or changing-state AGN—and at higher luminosities, changing-look quasars (CLQs)—have been found via spectroscopic follow-up of known quasars showing strong photometric variability. The Time Domain Spectroscopic Survey of the Sloan Digital Sky Survey IV (SDSS-IV) includes repeat spectroscopy of large numbers of previously known quasars, many selected irrespective of photometric variability, and with spectral epochs separated by months to decades. Our visual examination of these repeat spectra for strong broad line variability yielded 61 newly discovered CLQ candidates. We quantitatively compare spectral epochs to measure changes in continuum and Hβ broad line emission, finding 19 CLQs, of which 15 are newly recognized. The parent sample includes only broad line quasars, so our study tends to find objects that have dimmed, i.e., turn-off CLQs. However, we nevertheless find four turn-on CLQs that meet our criteria, albeit with broad lines in both dim and bright states. We study the response of Hβ and Mg ii emission lines to continuum changes. The Eddington ratios of CLQs are low, and/or their Hβ broad line width is large relative to the overall quasar population. Repeat quasar spectroscopy in the upcoming SDSS-V black hole Mapper program will reveal significant numbers of CLQs, enhancing our understanding of the frequency and duty cycle of such strong variability, and the physics and dynamics of the phenomenon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Post-Transcriptional Mechanisms Respond Rapidly to Ecologically Relevant Thermal Fluctuations During Temperature-Dependent Sex Determination

An organism’s ability to integrate transient environmental cues experienced during development into molecular and physiological responses forms the basis for adaptive shifts in phenotypic trajectories. During temperature-dependent sex determination (TSD), thermal cues during discrete periods in development coordinate molecular changes that ultimately dictate sexual fate and contribute to patterns of inter- and intra-sexual variation. How these mechanisms interface with dynamic thermal environments in nature remain largely unknown. By deploying thermal loggers in wild nests of the American alligator (Alligator mississippiensis) over two consecutive breeding seasons, we observed that 80% of nests exhibit both male- and female-promoting thermal cues during the thermosensitive period, and of these nests, all exhibited both male- and female-promoting temperatures within the span of a single day. These observations raise a critical question—how are opposing environmental cues integrated into sexually dimorphic transcriptional programs across short temporal scales? To address this question, alligator embryos were exposed to fluctuating temperatures based on nest thermal profiles and sampled over the course of a daily thermal fluctuation. We examined the expression dynamics of upstream genes in the temperature-sensing pathway and find that post-transcriptional alternative splicing and transcript abundance of epigenetic modifier genes JARID2 and KDM6B respond rapidly to thermal fluctuations while transcriptional changes of downstream effector genes, SOX9 and DMRT1, occur on a delayed timescale. Our findings reveal how the basic mechanisms of TSD operate in an ecologically relevant context. We present a hypothetical hierarchical model based on our findings as well as previous studies, in which temperature-sensitive alternative splicing incrementally influences the epigenetic landscape to affect the transcriptional activity of key sex-determining genes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Astrometry of Cassini with the VLBA to improve the Saturn ephemeris

Planetary ephemerides have been developed and improved over centuries. They are a fundamental tool for understanding solar system dynamics, and essential for planetary and small body mass determinations, occultation predictions, high-precision tests of general relativity, pulsar timing, and interplanetary spacecraft navigation. This paper presents recent results from a continuing program of high-precision astrometric very long baseline interferometry (VLBI) observations of the Cassini spacecraft orbiting Saturn, using the Very Long Baseline Array (VLBA). We have previously shown that VLBA measurements can be combined with spacecraft orbit determinations from Doppler and range tracking and VLBI links to the inertial extragalactic reference frame to provide the most accurate barycentric positions currently available for Saturn. Here we report an additional five years of VLBA observations along with improved phase reference source positions, resulting in an improvement in residuals with respect to the Jet Propulsion Laboratory's dynamical ephemeris.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Coupling flux balance analysis with reactive transport modeling through machine learning for rapid and stable simulation of microbial metabolic switching

Integrating genome-scale metabolic networks with reactive transport models (RTMs) provides a detailed description of the dynamic changes in microbial growth and metabolism. Despite promising demonstrations in the past, computational inefficiency has been pointed out as a critical issue to overcome because it requires repeated application of linear programming (LP) to obtain flux balance analysis (FBA) solutions in every time step and spatial grid. To address this challenge, we propose a new simulation method where we train and validate artificial neural networks (ANNs) using randomly sampled FBA solutions and incorporate the resulting surrogate FBA model (represented as algebraic equations) into RTMs as source/sink terms. We demonstrate the efficiency of our method via a case study of Shewanella oneidensis MR-1. During aerobic growth on lactate, S. oneidensis produces metabolic byproducts (such as pyruvate and acetate), which are subsequently consumed as alternative carbon sources when the preferred nutrients are depleted. To effectively simulate these complex dynamics, we used a cybernetic approach that models metabolic switches as the outcome of dynamic competition among multiple growth options. In both zero-dimensional batch and one-dimensional column configurations, the ANN-based surrogate models achieved substantial reduction of computational time by several orders of magnitude compared to the original LP-based FBA models. Moreover, the ANN models produced robust solutions without any special measures to prevent numerical instability. These developments significantly promote our ability to utilize genome-scale networks in complex, multi-physics, and multi-dimensional ecosystem modeling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Development of a Data Platform for High-Temperature Gas-cooled Reactor (HTGR) Nuclear Energy University Program (NEUP) Thermal-Fluid Experiments

Since the U.S. Department of Energy (DOE)’s Office of Nuclear Energy (NE) initiated the Nuclear Energy University Program (NEUP) in 2009, a total of 30 NEUP projects focused on High-Temperature Gas-cooled Reactor (HTGR) thermal-fluid experiments were funded up to fiscal year (FY) 2021. This represents a total DOE investment of approximately $23M over the 12-year period, covering thermal fluid phenomena important to both pebble bed and prismatic HTGR designs. The NEUP projects have produced a large amount of high-quality experimental and computational data that were published in final project reports, journal articles, dissertations, and conference proceedings, but in most cases the actual data sets and supporting information such as facility and instrumentation descriptions were not publicly disseminated to the HTGR community. To the authors’ best knowledge, a data platform that organizes and summarizes these NEUP-funded projects for HTGR research does not currently exist. To improve access to this HTGR validation data and optimize the return on the significant investment made by DOE, the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program started a survey of completed and ongoing HTGR NEUP projects with the aim of developing a public-access data platform that can be used to retrieve computational fluid dynamics (CFD) and system code validation data and guide future NEUP investments. This paper summarizes the status of the current ART-GCR database, provides an overview of the NEUP-funded HTGR-related research projects from FY2009 to FY2021 and identify validation knowledge gaps still existing in HTGR thermal-fluid research.

42 ENGINEERING↗
DOE OSTI2022

A multi-stage stochastic programming model for adaptive biomass processing operation under uncertainty

Variations of physical and chemical characteristics of biomass reduce equipment utilization and increase operational costs of biomass processing. Biomass processing facilities use sensors to monitor the changes in biomass characteristics. Integrating sensory data into the operational decisions in biomass processing will increase its flexibility to the changing biomass conditions. In this paper, we propose a multi-stage stochastic programming model that minimizes the expected operational costs by identifying the initial inventory level and creating an operational decision policy for equipment speed settings. These policies take the sensory information data and the current biomass inventory level as inputs to dynamically adjust inventory levels and equipment settings according to the changes in the biomass' characteristics. We ensure that a prescribed target reactor utilization is consistently achieved by penalizing the violation of the target reactor feeding rate. A case study is developed using real-world data collected at Idaho National Laboratory's biomass processing facility. We show the value of multi-stage stochastic programming from an extensive computational experiment. Our sensitivity analysis indicates that updating the infeed rate of the system, the processing speed of equipment, and bale sequencing based on the moisture level of biomass improves the processing rate of the reactor and reduces operating costs.

09 BIOMASS FUELS↗
DOE OSTI2021

A fast reduced model for a shell-and-tube based latent heat thermal energy storage heat exchanger and its application for cost optimal design by nonlinear programming

Numerical simulation of latent heat thermal energy storage (LHTES) systems plays a fundamental role in studying the physical process and guiding the engineering design. Discretization of the PDEs describing the nonlinear solidification/melting process of phase change materials (PCMs) leads to a large-scale complex dynamics system, where the system behavior depends on a set of parameters. In a design setting, repeated model evaluations are required over the set of parameters results in significant computational burden. In this paper, an explicit analytic solution was built for the propagation of the solidification front in a cylindrical coordinate. The analytic solution approach is further employed to develop a low computational reduced model (RM) as a module for a shell-and-tube based LHTES heat exchanger. The levelized Cost of Energy (LCOE) is used as a design metric and the RM model is used to apply system-level constraints in the nonlinear programming formulation that facilitates efficient global optimal design of the PCM properties, flow conditions and tube geometries. The use of LCOE as the design metric prevents over design of the heat transfer rate and also establishes a fair ground for evaluation of different thermal storage technologies and their integrated applications with other systems. Optimal results showed that a higher effectiveness results in a higher LCOE; the velocity of the HTF and the length of the channel are highly correlated with each other; both larger PCM latent energy and conductivity result in lower LCOE.

25 ENERGY STORAGE↗
DOE OSTI2018

Dynamics of X-pinches Powered by a Capacitor Bank

X-pinches are formed by crossing two metal wires in the shape of the letter ‘X’ between the electrodes of a pulsed power device. The plasma generated then evolves in complex ways and has been the subject of many experiments and simulations, both as a plasma object and for its use as a source of intense soft x-rays, of interest to high energy density plasma (HEDP) studies. The dynamics of the x-pinch that lead to the emission x-ray photons begin soon after this initial explosive phase, resulting in the formation of a micro z-pinch (≤ 300 µm long, ~100 µm diameter) at the crossing point. If the current is high enough, then a subsonic plasma implosion in the micro z-pinch begins, which creates a high density, high temperature plasma. These x-pinches have been typically studied at the nanosecond time scale (rise-time $τ_r ≤ 100 ns, dI/dt > 1 kA/ns$). The microsecond x-pinch ($I_p~350 kA, τ_{1/4} = 1 µs, 0.3 kA/ns$) allows a different parameter space to be studied that compliments HEDP studies in the nanosecond regime (with an attendant lower hard-radiation hazard) but it also creates plasma conditions that are interesting in their own right, with features that make it a good model for studying the hydrodynamics of astrophysical jets, for example. With high electron density and temperatures pushing close to 0.5 keV, it is relevant for high energy density studies and provides a suitable test bed for the spectroscopy of highly ionized atoms. The aim of the original proposal was to initiate a new experimental plasma research program at Florida A&M University with three main objectives: (1) To create x-pinch plasmas from different materials using a direct capacitor bank discharge and to study the dynamics of the high-density plasmas and their associated soft x-ray emission properties and potential applications. (2) Understanding the nature of the supersonic plasma jets observed in the mid-plane of the microsecond x-pinch and their relevance as a laboratory model for studying astrophysical jets. (3) To provide a research platform to support the education of under-represented undergraduate and graduate students at Florida A&M University and to provide training in high energy density laboratory plasma physics. Each of the main objectives has been met and results of the work have been published in refereed journals or presented at several scientific meetings. A number of students both undergraduate and graduate have participated in the research program in a hands-on way and have thereby acquired training in high energy density physics. The success of the work can also be measured in two PhD dissertations (one of which is still in progress). The acquisition of important research equipment and instrumentation means that the work can continue in some fashion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Understanding Fundamental Material Degradation Processes in High Temperature Aggressive Chemomechanical Environments

The objective of this project is to develop a fundamental understanding of the mechanisms that limit materials durability for very high-temperature applications. Current design limitations are based on material strength and corrosion resistance. This project will characterize the interactions of high-temperature creep, fatigue, and environmental attack in structural metallic alloys of interest for the very high-temperature gas-cooled reactor (VHTR) or Next–Generation Nuclear Plant (NGNP) and for the associated thermo-chemical processing systems for hydrogen generation. Each of these degradation processes presents a major materials design challenge on its own, but in combination, they can act synergistically to rapidly degrade materials and limit component lives. This research and development effort will provide experimental results to characterize creep-fatigue-environment interactions and develop predictive models to define operation limits for high-temperature structural material applications. Researchers will study individually and in combination creep-fatigue-environmental attack processes in Alloys 617, 230, and 800H, as well as in an advanced Ni-Cr oxide dispersion strengthened steel (ODS) system. For comparison, the study will also examine basic degradation processes in nichrome (Ni-20Cr), which is a basis for most high-temperature structural materials, as well as many of the superalloys. These materials are selected to represent primary candidate alloys, one advanced developmental alloy that may have superior high-temperature durability, and one model system on which basic performance and modeling efforts can be based. The research program is presented in four parts, which all complement each other. The first three are primarily experimental in nature, and the last will tie the work together in a coordinated modeling effort. The sections are (1) dynamic creep-fatigue-environment process, (2) subcritical crack processes, (3) dynamic corrosion – crack initiation processes, and (4) modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2015

TU-CD-304-01: FEATURED PRESENTATION and BEST IN PHYSICS (THERAPY): Trajectory Modulated Arc Therapy: Development of Novel Arc Delivery Techniques Integrating Dynamic Table Motion for Extended Volume Treatments

Purpose: Integration of coordinated robotic table motion with inversely-planned arc delivery has the potential to resolve table-top delivery limitations of large-field treatments such as Total Body Irradiation (TBI), Total Lymphoid Irradiation (TLI), and Cranial-Spinal Irradiation (CSI). We formulate the foundation for Trajectory Modulated Arc Therapy (TMAT), and using Varian Developer Mode capabilities, experimentally investigate its practical implementation for such techniques. Methods: A MATLAB algorithm was developed for inverse planning optimization of the table motion, MLC positions, and gantry motion under extended-SSD geometry. To maximize the effective field size, delivery trajectories for TMAT TBI were formed with the table rotated at 270° IEC and dropped vertically to 152.5cm SSD. Preliminary testing of algorithm parameters was done through retrospective planning analysis. Robotic delivery was programmed using custom XML scripting on the TrueBeam Developer Mode platform. Final dose was calculated using the Eclipse AAA algorithm. Initial verification of delivery accuracy was measured using OSLDs on a solid water phantom of varying thickness. Results: A comparison of DVH curves demonstrated that dynamic couch motion irradiation was sufficiently approximated by static control points spaced in intervals of less than 2cm. Optimized MLC motion decreased the average lung dose to 68.5% of the prescription dose. The programmed irradiation integrating coordinated table motion was deliverable on a TrueBeam STx linac in 6.7 min. With the couch translating under an open 10cmx20cm field angled at 10°, OSLD measurements along the midline of a solid water phantom at depths of 3, 5, and 9cm were within 3% of the TPS AAA algorithm with an average deviation of 1.2%. Conclusion: A treatment planning and delivery system for Trajectory Modulated Arc Therapy of extended volumes has been established and experimentally demonstrated for TBI. Extension to other treatment techniques such as TLI and CSI is readily achievable through the developed platform. Grant Funding by Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A data-driven linear formulation of the optimal demand response scheduling problem for an industrial air separation unit

Demand response (DR) has become a key element in balancing the power grid as the contribution of time-varying renewable power generation increases. Chemical plants are appealing candidates for DR programs as they offer large, concentrated and flexible loads. DR participation calls for frequent production rate changes over time scales that overlap with the dominant dynamics of the plant. Production scheduling should therefore consider the process dynamics explicitly. Here we present a data-driven approach for modelling the scheduling-relevant dynamics based on historical closed-loop operating data using autoregressive with extra inputs (ARX) models. We introduce a new, linear scheduling problem formulation based on the ARX representation, and demonstrate its implementation on an industrial air separation unit.

42 ENGINEERING↗