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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Efficient structure-factor modeling for crystals with multiple components

Diffraction intensities from a crystallographic experiment include contributions from the entire unit cell of the crystal: the macromolecule, the solvent around it and eventually other compounds. These contributions cannot typically be well described by an atomic model alone, i.e . using point scatterers. Indeed, entities such as disordered (bulk) solvent, semi-ordered solvent ( e.g. lipid belts in membrane proteins, ligands, ion channels) and disordered polymer loops require other types of modeling than a collection of individual atoms. This results in the model structure factors containing multiple contributions. Most macromolecular applications assume two-component structure factors: one component arising from the atomic model and the second one describing the bulk solvent. A more accurate and detailed modeling of the disordered regions of the crystal will naturally require more than two components in the structure factors, which presents algorithmic and computational challenges. Here an efficient solution of this problem is proposed. All algorithms described in this work have been implemented in the computational crystallography toolbox ( CCTBX ) and are also available within Phenix software. These algorithms are rather general and do not use any assumptions about molecule type or size nor about those of its components.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1982

Modeling the thermal structure and magnetic properties of the crust of active regions with application to the Rio Grande rift

Experiments in Curie depth estimation from long wavelength magnetic anomalies are summarized. The heart of the work is equivalent-layer-type magnetization models derived by inversion of high-elevation, long wavelength magnetic anomaly data. The methodology is described in detail in the above references. A magnetization distribution in a thin equivalent layer at the Earth's surface having maximum detail while retaining physical significance, and giving rise to a synthetic anomaly field which makes a best fit to the observed field in a least squares sense is discussed. The apparent magnetization contrast in the equivalent layer is approximated using an array of dipoles distributed in equal area at the Earth's surface. The dipoles are pointed in the direction of the main magnetic field, which carries the implicit assumption that crustal magnetization is dominantly induced or viscous. The determination of the closest possible dipole spacing giving a stable inversion to a solution having physical significance is accomplished by plotting the standard deviation of the solution parameters against their spatial separation for a series of solutions.

Source record↗
DOE OSTI2025

Factors That Influence Variability in Stress-Drop Measurements Using Spectral Decomposition and Spectral-Ratio Methods for the 2019 Ridgecrest Earthquake Sequence

Stress drop is a fundamental parameter related to earthquake source physics, but is hard to measure accurately. To better understand how different factors influence stress-drop measurements, we compare two different methods using the Ridgecrest stress-drop validation data set: spectral decomposition (SD) and spectral ratio (SR), each with different processing options. Here, we also examine the influence of spectral complexity on source parameter measurement. Applying the SD method, we find that frequency bandwidth and time-window length could influence spectral magnitude calibration, while depth-dependent attenuation is important to correctly map stress-drop variations. For the SR method, we find that the selected source model has limited influence on the measurements; however, the Boatwright model tends to produce smaller standard deviation and larger magnitude dependence than the Brune model. Variance reduction threshold, frequency bandwidth, and time-window length, if chosen within an appropriate parameter range, have limited influence on source parameter measurement. For both methods, wave type, attenuation correction, and spectral complexity strongly influence the result. The scale factor that quantifies the magnitude dependence of stress drop show large variations with different processing options, and earthquakes with complex source spectra deviating from the Brune-type source models tend to have larger scale factor than earthquakes without complexity. Based on these detailed comparisons, we make a few specific suggestions for data processing workflows that could help future studies of source parameters and interpretations.

58 GEOSCIENCES↗
NASA NTRS1987

Mass modeling for bars

Methods of modeling mass for bars are surveyed. A method for extending John Archer's concept of consistent mass beyond just translational inertia effects is included. Recommendations are given for various types of modeling situations.

Butler, Thomas G.↗
NASA NTRS1991

Computer simulation of water reclamation processors

The development of detailed simulation models of water reclamation processors based on the ASPEN PLUS simulation program is discussed. Individual models have been developed for vapor compression distillation, vapor phase catalytic ammonia removal, and supercritical water oxidation. These models are used for predicting the process behavior. Particular attention is given to methodology which is used to complete this work, and the insights which are gained by this type of model development.

Fisher, John W.↗
DOE OSTI2020

Lattice model of heavy-light three-body system

We present a study of a $1+1$ dimensional heavy-light three-body system in finite volume. The heavy-light system is simulated by a coupled-channel $\phi^4$ type lattice model, and both ground state and excited states of multiparticle energy spectra are measured on various lattices. The lattice simulation data analysis is performed based on variational approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Urca nuclide production in Type-I X-ray bursts and implications for nuclear physics studies

ABSTRACT The thermal structure of accreting neutron stars is affected by the presence of urca nuclei in the neutron star crust. Nuclear isobars harbouring urca nuclides can be produced in the ashes of Type I X-ray bursts, but the details of their production have not yet been explored. Using the code MESA, we investigate urca nuclide production in a one-dimensional model of Type I X-ray bursts using astrophysical conditions thought to resemble the source GS 1826-24. We find that high-mass (A ≥ 55) urca nuclei are primarily produced late in the X-ray burst, during hydrogen-burning freeze-out that corresponds to the tail of the burst light curve. The ∼0.4–0.6 GK temperature relevant for the nucleosynthesis of these urca nuclides is much lower than the ∼1 GK temperature most relevant for X-ray burst light curve impacts by nuclear reaction rates involving high-mass nuclides. The latter temperature is often assumed for nuclear physics studies. Therefore, our findings alter the excitation energy range of interest in compound nuclei for nuclear physics studies of urca nuclide production. We demonstrate that for some cases this will need to be considered in planning for nuclear physics experiments. Additionally, we show that the lower temperature range for urca nuclide production explains why variations of some nuclear reaction rates in model calculations impacts the burst light curve but not local features of the burst ashes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Constitutive model development of aluminum alloy 1100 for elevated temperature forming process

Commercially pure aluminum alloy, AA1100, presents good electrical and thermal conductivity, high formability, and low cost. Those favorable characteristics have the potential to enable bipolar plates with improved economics and enhanced performance compared to current stainless steel bipolar plates for proton exchange membrane fuel cells. An accurate constitutive model is essential to develop and optimize processing parameters and effectively control the forming process. Here, the objective of this work is to develop a constitutive model of AA1100 that is able to simulate stress-strain relation, formed geometry, and predict the onset of fracture strain to avoid forming failure. Initially, a set of tensile tests at temperature between 300 and 500°C and strain rate between 0.005 and 1.0/s were conducted to examine the deformation behavior. Then, a set of damage-based unified visco-plastic constitutive equations is proposed and calibrated based on the results of stress-strain data. A genetic algorithm optimization method is applied to search for best fitting material constants in constitutive equations. The proposed model shows good predictability of both the stress-strain relation and fracture strain at low strain rate and high temperature conditions. The accuracy of proposed model is also evaluated statistically. A comparison of the proposed model with three popular models (Arrhenius-type mode, Johnson-Cook model and Zerilli-Armstrong model) was made. The proposed model shows the best experimental agreement with correlation coefficient of 0.96 in contrast to 0.25, 0.38 and 0.75 for the popular models, respectively. The proposed model can help to optimize the elevated temperature forming process and guide die design to enable optimal geometric features in the formed components.

08 HYDROGEN↗
NASA NTRS1987

Prospects for observations of nucleosynthetic gamma-ray lines and continuum from SN 1987A

Expected flux levels for nucleosynthetic gamma-ray line and continuum emissions from SN 1987A are calculated for several models. The dominant line emission is from freshly synthesized Ni-56 and its decay daughters, and the continuum is from Compton scattering of line photons. For a 15 solar mass Type II model, the light curve for the 0.847 MeV gamma-ray line peaks in September 1988 at 3 x 10 to the -4th photons/sq cm/s. This is detectable only by new, ultrasensitive balloon-borne spectrometers. For models with substantial mass loss from their envelopes, the peak is in early 1988 at about 0.01 photons/sq cm/s, which is detectable at high significance levels by all current instruments. The continuum emission in the 0.05-0.5 MeV band peaks about 100 days before the 0.847 MeV line peak. This Compton precursor is observable at about the same significance level as the lines.

Gehrels, Neil↗
NASA NTRS2005

Simulation of Range Safety for the NASA Space Shuttle

This paper describes a simulation environment that seamlessly combines a number of safety and environmental models for the launch phase of a NASA Space Shuttle mission. The components of this simulation environment represent the different systems that must interact in order to determine the Expectation of casualties (E(sub c)) resulting from the toxic effects of the gas dispersion that occurs after a disaster affecting a Space Shuttle within 120 seconds of lift-off. The utilization of the Space Shuttle reliability models, trajectory models, weather dissemination systems, population models, amount and type of toxicants, gas dispersion models, human response functions to toxicants, and a geographical information system are all integrated to create this environment. This simulation environment can help safety managers estimate the population at risk in order to plan evacuation, make sheltering decisions, determine the resources required to provide aid and comfort, and mitigate damages in case of a disaster. This simulation environment may also be modified and used for the landing phase of a space vehicle but will not be discussed in this paper.

Rabelo, Luis↗
NASA NTRS2005

Range Systems Simulation for the NASA Shuttle: Emphasis on Disaster and Prevention Management During Lift-Off

This article describes a decision-making system composed of a number of safety and environmental models for the launch phase of a NASA Space Shuttle mission. The components of this distributed simulation environment represent the different systems that must collaborate to establish the Expectation of Casualties (E(sub c)) caused by a failed Space Shuttle launch and subsequent explosion (accidental or instructed) of the spacecraft shortly after liftoff. This decision-making tool employs Space Shuttle reliability models, trajectory models, a blast model, weather dissemination systems, population models, amount and type of toxicants, gas dispersion models, human response functions to toxicants, and a geographical information system. Since one of the important features of this proposed simulation environment is to measure blast, toxic, and debris effects, the clear benefits is that it can help safety managers not only estimate the population at risk, but also to help plan evacuations, make sheltering decisions, establish the resources required to provide aid and comfort, and mitigate damages in case of a disaster.

Rabelo, Lisa↗
NASA NTRS1990

A limit on the production of Ni-56 in a type I supernova

The data from the Gamma-Ray Spectrometer on the Solar Maximum Mission satellite have been searched for evidence of gamma-ray line emission from the decay of Co-56 in the type Ia SN, 1986G. No significant flux at either 847 or 1238 keV, the energies of the two strongest decay lines is found. Based on the data, a 3-sigma upper limit of 0.4 solar masses (D/3 Mpc)-squared on the amount of Ni-56 produced in the explosion is set. This value is consistent with radioactive models of type I light curves. For distances less than 3 Mpc, the limit is inconsistent with most models of SN Ia as thermonuclear explosions of white dwarfs.

Matz, Steven M.↗
NASA NTRS2010

Experimental Validation of FE/BEM Dynamic Strain Model Under Diffuse Acoustic Field Loading

Structural finite element (FE) models naturally output displacement or acceleration response data. However, they can also be used to compute stress, internal forces, and strain response. When coupled with a boundary element model (BEM) of the fluid surrounding the structure, a fully coupled analysis can be performed. Modeling a diffuse acoustic field in the BEM fluid provides an excitation like that found when the structure is placed in a reverberation chamber. Fully coupling the structural FE model to the acoustic BEM model provides a means to predict not only the acceleration response of the panel to diffuse field loading, but also the ability to predict the dynamic stress and strain response. This type of model has been available with current predictive tools, but experimental validation of the prediction of dynamic stress or strain is difficult to find. An aluminum panel was instrumented with accelerometers and strain gages and hung in a reverberation room and subjected to a diffuse acoustic field. This paper presents the comparison of the experimental and predicted results.

Tsoi, W. Ben↗
DOE OSTI2024

Assessment of Cloud-based Applications for Enabling a Scalable Riskinformed Predictive Maintenance Strategy

The current light-water reactor fleet uses time-based maintenance strategies to achieve high-capacity factors. But to make nuclear more competitive in the energy market, these reactors could utilize emerging artificial intelligence (AI) and cloud computing technologies to achieve a cost-effective, predictive-maintenance strategy. This paper presents discussion and results on the application of cloud computing in the nuclear industry. The technical viability of cloud computing was analyzed using data from a boiling-water reactor’s safety relief valve. The models were hosted on three different systems: a local personal computer, Idaho National Laboratory’s high-performance computer system, and Microsoft Azure. The data were loaded and processed, and two types of models were trained in an A/B fashion. Based on the speed at which these actions were completed, it was determined that cloud computing affords adequate computing resources. Additionally, the computing power can scale with the demanded load. To enable cloud computing in the existing fleet, additional sensors, networks, and other requirements must be implemented to ensure a smooth transition from current maintenance strategies. However, the benefit is that the plants no longer need to manage their own servers, software, cybersecurity, and information technology support staff for in-house data analytics purpose. Many of these features can be offloaded to the cloud provider for a potential cost savings. Demonstrating how AI can improve the maintenance and operation of non-safety-related systems seems the likely path forward for implementing AI and cloud computing resources inside nuclear power plants.

azure↗
DOE OSTI2022

Assessment of Core Physics Characteristics of Extended Enrichment and Higher Burnup LWR Fuels using the Polaris/PARCS Two-Step Approach. Vol. I: PWR Fuel

Nuclear fuel with extended enrichment (235U enrichment within 5-8 wt%) is one of the evolutionary changes that have been pursued in recent years by commercial light water reactor operators and fuel vendors to improve the fuel cycle economy and operation performance of a nuclear plant. This work assesses the performance of the Polaris/PARCS two-step approach in core physics modeling of the pressurized water reactor cores with extended enrichment fuel, referred to as “LEU+” in this report. A representative LEU+ core with a 24-month fuel cycle developed by Southern Nuclear Company (SNC) was modeled using this two-step approach. A representative LEU core with an 18-month fuel cycle was also modeled to provide a reference for the LEU+ core. As expected, significantly more burnable poison absorbers were used in the LEU+ core to accomodate its higher fuel enrichment. Nine different fuel assembly types were modeled using Polaris for each core to generate the assembly cross sections, which were then processed by GenPMAX to prepare the cross-section data for PARCS. The average specific powers of each fuel batch in each core were derived from VERA results and higher specific powers in fresh assemblies were found in the LEU core due to its less total uranium loading included in the VERA LEU model, given that the total core power was assumed to be the same for both cores. PARCS models were developed to simulate the steady-state operations of both cores. PARCS results on the LEU+ core were first compared with the VERA results for verification purpose; good agreements were seen in soluble boron and burnup distribution results, indicating that the Polaris/PARCS modeling and simulation were correctly implemented. Core physics parameters calculated by PARCS, at zero power physics tests, beginning of cycle (BOC), and end of cycle conditions (EOC), were compared between the LEU+ core and the LEU core, including soluble boron concentration, burnup distributions, assembly and pin power peaking factors, fuel temperature reactivity coefficients, moderator temperature and density reactivity coefficients, control rod worth, and shut down margin. The main differences in PARCS results between the LEU+ and the LEU cores are summarized below: 1)The critical boron concentrations were found to be much higher in the LEU+ core than in the LEU core (1582 vs. 1335 ppm for peak values). 2)Higher assembly radial power peaking factors (1.4 vs. 1.3 for peak values), 2D pin peaking factors (1.53 vs. 1.42 for peak values), and 3D pin peaking factors (1.89 vs. 1.81 for peak values) were found in the LEU+ core than in the LEU core. 3)Significantly higher reactivity coefficients of moderator temperature (and density) were found in LEU+ than in LEU.4)Significantly lower control rod worth at EOC were found in LEU+ than LEU for all but one control banks.5)Significantly lower shut down margins were found in the LEU+ core than in the LEU core. The Polaris/GenPMAX/PARCS code suite was found to be capable of modeling the LEU+ PWR core for steady-state operations and no unexpected results in core physics parameters were observed, in spite of that a) several bugs in PARCS were identified and workarounds were used; b) several features were found lacking in the current version of PARCS that would be useful for core modeling. A list of requests for bug fixes and feature upgrades for PARCS originated from this work were transmitted to the code developers. The assessments on the performance of the Polaris/PARCS two-step approach in core modeling for boiling water reactor with LEU+ fuel is ongoing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1972

The lunar conductivity profile and the nonuniqueness of electromagnetic data inversion.

A review of the theory for the electromagnetic functional used to date to determine the lunar conductivity profile from spectral analyses of lunar magnetometer data. The 'hard' boundary condition used by Sonett et al. (1971) and others appears to be a good approximation for the sunlit lunar hemisphere. The use of the spectral data in conjunction with the functional to find a least squares conductivity profile is examined from the point of view of the nonuniqueness of nonlinear estimation. An unsuccessful search was carried out to find models that were both geophysically reasonable and consistent with the data. It is asserted that the failure to find these models is due to the inadequacy of the functional. Of the models generated, those that best fit the data all have a conductivity peak at a depth of 240 km similar to that of the model discussed by Sonett et al. However, all of these models are quite distinct elsewhere in the profile. It is shown how such models are dependent on both the nature of the functional as well as the initial guess in the least squares procedure. A correlation analysis shows that the only resolvable features from this type of model are a low conductivity crust, a high conductivity peak of limited radial extent, and a low conductivity zone beneath the peak.

Phillips, R. J.↗
NASA NTRS1977

The structure of the atmosphere of Uranus

Models of the interior of Uranus suggest that the abundances of such substances as CH4 are greatly enhanced with respect to solar abundances of heavy elements. Such enhancement leads to a new type of model atmosphere for Uranus, which agrees with observation if the internal energy flux is small (no more than 10%) compared with the absorbed solar energy. An important feature of the models is the presence of a cloud of CH4 droplets whose top is at a temperature of approximately 90 K and a pressure of about 4 atm. Above the cloud, the atmosphere is stable because of the rapid decrease in the thermal flux with depth. Being saturated, most of the observable gaseous CH4 is near the cloud; the CH4 abundance above the cloud, of the order of 5 km-am, is a very sensitive function of the cloud-top temperature.

Danielson, R. E.↗
NASA NTRS1994

A new titanium-bearing calcium aluminosilicate phase. 1: Meteoritic occurrences and formation in synthetic systems

A new titanium-bearing calcium aluminosilicate mineral has been identified in coarse-grained calcium-aluminum-rich inclusions (CAIs) from carbonaceous chondrites. The formula for this phase, which we have temporarily termed 'UNK,' is Ca3Ti(Al,Ti)2(Si,Al)3O14, and it is present in at least 8 of the 20 coarse-grained CAIs from the Allende CV3 chondrite examined as part of this project. The phase occurs in Types A and B1 inclusions as small tabular crystal oriented along two mutually perpendicular planes in melilite. UNK crystallizes from melts in dynamic crystallization experiments conducted in air from four bulk compositions modeled after Types A, B1, B2 and C inclusions. Cooling rates resulting in crystallization of UNK ranged from 0.5 to 200 C/h from maximum (initial) temperatures of 1375 to 1580 C. Only below 1190 C does UNK itself begin to crystallize. To first order, the presence or absence of UNK from individual experiments can be understood in terms of the compositions of residual melts and nucleation probabilities. Compositions of synthetic and meteoritic UNK are very similar in terms of major oxides, differing only in the small amounts of trivalent Ti(7-13% of total Ti) in meteoritic samples. UNK crystallized from the Type A analog is similar texturally to that found in CAIs, although glass, which is typically associated with synthetic UNK, is not observed in the meteoritic occurrences. A low Ti end-member of UNK ('Si-UNK') with a composition near that of Ca3Al2Si4O14 was produced in a few samples from the Type B1 analog. This phase has not been found in the meteoritic inclusions.

Paque, Julie M.↗