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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Lamellae of α phase in a metastable β -Ti alloy studied by small-angle x-ray scattering

The shapes and orientations of lamellae of the hexagonal close-packed α phase in single crystals of the body-centred cubic β phase in a metastable β -Ti alloy (Timetal LCB) were investigated by synchrotron small-angle x-ray scattering. Several steps of thermal treatment with various annealing times and temperatures were employed. The measured scattering data were fitted to a model of ellipsoidal lamellae of random sizes, and the mean lamella shapes and orientations of their axes with respect to the β -Ti matrix were determined from the fit. The number and relative volume of the lamellae were estimated from the integrated scattered intensity. The elastic energy of the lamellae as well as the energy of defects at the α / β interface (misfit dislocations) were calculated from the parameters of the lamellae. In conclusion, the results provide information on the kinetics of the β $ \rightarrow$ α transformation in metastable β -Ti alloys and allow assessing the degree of thermodynamic equilibrium of the final α / β composite.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A large-scale, agent-based simulation of metropolitan freight movements with passenger and freight market interactions

This study summarizes the first stage in the implementation of an agent-based freight modeling system that has a global representation of agents and detailed modeling of a large-scale transportation network. The model is used to evaluate the transportation and energy impacts of goods movement across urban and national scales. The framework is implemented within POLARIS, a C++-based Planning and Operations Language for Agent-based Regional Integrated Simulation, which consists of an activity-based modeling (ABM) and dynamic traffic assignment (DTA) system that has robust features for passenger travel. This platform provides a tool to model interactions among consumers, producers, and the transportation system. The main objective of this initial implementation is to implement a freight model within POLARIS following an agent-based paradigm with behavioral and simulation methods. This paper presents the initial framework and illustrates the application of the model. Building upon earlier works, a parcel location assignment algorithm for business establishments in the population is documented, along with a method for estimating establishment production and consumption volumes. In addition to population generation, other features of the model include push-pull supply chains, multimodal path choice, choice of transportation logistics node, and dynamic traffic assignment. A module with e-commerce supply and demand was also developed to analyze the effects of e-commerce delivery on last-mile energy use and congestion.

agent-based freight↗
DOE OSTI2020

Crystallization Mechanism in Spark Plasma Sintered Bulk Metallic Glass Analyzed using Small Angle Neutron Scattering

Understanding the thermal stability of metallic glasses is critical to determining their safe temperatures of service. In this paper, the crystallization mechanism in spark plasma sintered Fe 48 Cr 15 Mo 14 Y 2 C15B6 metallic glass is established by analyzing the crystal size distribution using x-ray diffraction, transmission electron microscopy and in-situ small angle neutron scattering. Isothermal annealing at 700 °C and 725 °C for 100 min resulted in the formation of (Fe,Cr) 23 C 6 crystals, measured from transmission electron micrographs, to be from 10 to 30 nm. The small angle neutron scattering intensity measured in-situ, over a Q-range of 0.02 to 0.3 Å -1 , during isothermal annealing of the sintered samples, confirmed the presence of (Fe,Cr) 23 C 6 crystals. The measured scattering intensity, fitted by the maximum entropy model, over the Q-range of 0.02 to 0.06 Å -1 , revealed that the crystals had radii ranging from 3 to 18 nm. The total volume fraction of crystals were estimated to be 0.13 and 0.22 upon isothermal annealing at 700 °C and 725 °C for 100 min respectively. The mechanism of crystallization in this spark plasma sintered iron based metallic glass was established to be from pre-existing nuclei as confirmed by Avrami exponents of 0.25 ± 0.01 and 0.39 ± 0.01 at the aforesaid temperatures.

42 ENGINEERING↗
DOE OSTI2019

Key Results from Detailed Nondestructive Examinations of 25 Pressurized Water Reactor High Burnup Spent Nuclear Fuel Rods

The High Burnup Spent Fuel Data Project, sponsored by the U.S. Department of Energy Office of Nuclear Energy, is focused on understanding the effects of long-term storage and transportation on high burnup (HBU) (>45 GW days per tonne uranium) light water reactor fuel. The project includes 32 HBU spent nuclear fuel (SNF) assemblies (the project assemblies) that are stored in a typical independent spent fuel storage installation (ISFSI) and 25 “sister rods”—9 SNF rods that were removed from the fuel assemblies prior to insertion to the ISFSI and 16 SNF rods removed from similar HBU assemblies. The sister rods provide a baseline of the condition of the HBU rods before loading, drying, and long-term dry storage. The project assemblies will be inspected after 10 years, and the physical state of the stored rods will be compared with the condition of the sister rods to identify any changes in physical properties during the dry storage period. Our report focuses on key results from the nondestructive postirradiation examinations of the sister rods and summarizes the results of detailed visual examinations, gamma scans, dimensional measurements, and eddy current liftoff measurements of the combined Chalk River unidentified deposits and oxide layer on the waterside surface of the rod. Additionally the data are used to calculate fuel rod and pellet stack growth rates, estimated remaining fuel rod plenum volumes, and the percentage change in fuel rod cladding diameter.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

NUMERICAL CONVERGENCE IN SMOOTHED PARTICLE HYDRODYNAMICS

We study the convergence properties of smoothed particle hydrodynamics (SPH) using numerical tests and simple analytic considerations. Our analysis shows that formal numerical convergence is possible in SPH only in the joint limit N → ∞, h → 0, and N{sub nb} → ∞, where N is the total number of particles, h is the smoothing length, and N{sub nb} is the number of neighbor particles within the smoothing volume used to compute smoothed estimates. Previous work has generally assumed that the conditions N → ∞ and h → 0 are sufficient to achieve convergence, while holding N{sub nb} fixed. We demonstrate that if N{sub nb} is held fixed as the resolution is increased, there will be a residual source of error that does not vanish as N → ∞ and h → 0. Formal numerical convergence in SPH is possible only if N{sub nb} is increased systematically as the resolution is improved. Using analytic arguments, we derive an optimal compromise scaling for N{sub nb} by requiring that this source of error balance that present in the smoothing procedure. For typical choices of the smoothing kernel, we find N{sub nb} ∝N {sup 0.5}. This means that if SPH is to be used as a numerically convergent method, the required computational cost does not scale with particle number as O(N), but rather as O(N {sup 1} {sup +} {sup δ}), where δ ≈ 0.5, with a weak dependence on the form of the smoothing kernel.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Semiconducting cubic titanium nitride in the Th 3 P 4 structure

We report the discovery of a long-sought-after phase of titanium nitride with stoichiometry Ti3N4 using diamond anvil cell experiments combined with in situ high-resolution x-ray diffraction and Raman spectroscopy techniques, supported by ab initio calculations.

14 SOLAR ENERGY↗
DOE OSTI2015

SU-E-J-44: A Novel Approach to Quantify Patient Setup and Target Motion for Real-Time Image-Guided Radiotherapy (IGRT)

Purpose Isocenter shifts and rotations to correct patient setup errors and organ motion cannot remedy some shape changes of large targets. We are investigating new methods in quantification of target deformation for realtime IGRT of breast and chest wall cancer. Methods Ninety-five patients of breast or chest wall cancer were accrued in an IRB-approved clinical trial of IGRT using 3D surface images acquired at daily setup and beam-on time via an in-room camera. Shifts and rotations relating to the planned reference surface were determined using iterative-closest-point alignment. Local surface displacements and target deformation are measured via a ray-surface intersection and principal component analysis (PCA) of external surface, respectively. Isocenter shift, upper-abdominal displacement, and vectors of the surface projected onto the two principal components, PC1 and PC2, were evaluated for sensitivity and accuracy in detection of target deformation. Setup errors for some deformed targets were estimated by superlatively registering target volume, inner surface, or external surface in weekly CBCT or these outlines on weekly EPI. Results Setup difference according to the inner-surface, external surface, or target volume could be 1.5 cm. Video surface-guided setup agreed with EPI results to within < 0.5 cm while CBCT results were sometimes (∼20%) different from that of EPI (>0.5 cm) due to target deformation for some large breasts and some chest walls undergoing deep-breath-hold irradiation. Square root of PC1 and PC2 is very sensitive to external surface deformation and irregular breathing. Conclusion PCA of external surfaces is quick and simple way to detect target deformation in IGRT of breast and chest wall cancer. Setup corrections based on the target volume, inner surface, and external surface could be significant different. Thus, checking of target shape changes is essential for accurate image-guided patient setup and motion tracking of large deformable targets. NIH grant for the first author as cionsultant and the last author as the PI.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-766: Treatment Planning Comparison Study On Two Different Multileaf Collimators Delivered with Volumetric Modulated Arc Therapy

Purpose: To compare and evaluate the performance of two different multileaf collimators(MLCi2 and Agility) delivery with volumetric modulated arc therapy techniques. Methods: Treatment plans were graded four (Low, Moderate, Moderate-High and High complexity) accorrding to the complexity. This includes 1 Low complexity(brain metastasis), 2 Moderate complexity(Lung and Liver), 1 Moderate-High complexity(prostate) and 1 High complexity ( head and neck) cases. Total dose of 60 Gy was given for all the plans. All cases were desigined two VMAT plans, one with MLCi2(group A) and the other with Agility(group B). All plans were done on Elekta VMAT with Monaco treatment planning system. All plans were generated with 6 MV X-rays for both Plan A and Plan B. Plans were evaluated based on the ability to meet the dose volume histogram, radiation conformity index, estimated radiation delivery time, dose homogeneity index(HI) and monitor units(MU) needed to deliver the prescribed dose. Results: Plans of group B achieved the best HI (HI = 1.05 Vs. 1.06) at the Low complexity cases while plans of group A were slightly better at the high complexity cases (HI = 1.12 Vs. 1.14). Faster VMAT plan delivery with Agility than with MLCi2 as plan complexity increased (Low complexity:52s Vs.52s, Moderate complexity:58s Vs. 55s, Moderate-High complexity: 171s Vs.152s, High complexity : 326s Vs. 202s ), especially for the most complex paradigms delivered time can be decresed 38%. No Significant changes were observed between the group B and group A plans in terms of the healthy tissue mean dose and MU. Both plans respected the planning objective for all organs at risk. Conclusion: The study concludes that VMAT plans with the novel Agility MLC can significant decrease the delivering time at the high complexity cases, while a slight compromise in the dose homogeneity index should be noted. This work was supported by The Medical Science Foundation of The health department of Hebei Province (No. 20130253)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Titanium Melting Curve: Data Consistency Assessment, Problems and Achievements

Experimental data for the thermodynamic properties of titanium on the melting curve in the pressure range from atmospheric value to 90 GPa are analyzed and brought into correspondence. The problems that have been considered are (i) the lack of data for the solid β-phase density near the normal melting point and (ii) the formation probability of a triple point on the melting curve for the coexisting β-, ω-, and liquid phases of titanium. To estimate the change of the volume upon melting 3d elements from Mendeleev’s periodic system, a correlation between the change of the volume, ΔV{sub m}, and the change of the entropy, ΔS{sub m}, on the melting curve at atmospheric pressure is suggested and effectively used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Reservoir Engineering Optimization Strategies for Subsurface CO 2 Storage

The purpose of this report is to outline a methodology for calculating the optimum number of injection wells for geologic CCS. The methodology is intended primarily for reservoir pressure management, and factors in cost as well. Efficiency may come in many forms depending on project goals; therefore, various results are presented simultaneously. The developed methodology is illustrated via application in a case study of the Rocky Mountain Carbon Capture and Storage (RMCCS) project, including a CCS candidate site near Craig, Colorado, USA. The forecasting method provided reasonable estimates of cost and injection volume when compared to simulated results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Evaluation of INL Supplied MOOSE/OSPREY Model: Modeling Water Adsorption on Type 3A Molecular Sieve

The purpose of this study was to evaluate Idaho National Lab’s Multiphysics Object-Oriented Simulation Environment (MOOSE) software in modeling the adsorption of water onto type 3A molecular sieve (3AMS). MOOSE can be thought-of as a computing framework within which applications modeling specific coupled-phenomena can be developed and run. The application titled Off-gas SeParation and REcoverY (OSPREY) has been developed to model gas sorption in packed columns. The sorbate breakthrough curve calculated by MOOSE/OSPREY was compared to results previously obtained in the deep bed hydration tests conducted at Oak Ridge National Laboratory. The coding framework permits selection of various options, when they exist, for modeling a process. For example, the OSPREY module includes options to model the adsorption equilibrium with a Langmuir model or a generalized statistical thermodynamic adsorption (GSTA) model. The vapor solid equilibria and the operating conditions of the process (e.g., gas phase concentration) are required to calculate the concentration gradient driving the mass transfer between phases. Both the Langmuir and GSTA models were tested in this evaluation. Input variables were either known from experimental conditions, or were available (e.g., density) or were estimated (e.g., thermal conductivity of sorbent) from the literature. Variables were considered independent of time, i.e., rather than having a mass transfer coefficient that varied with time or position in the bed, the parameter was set to remain constant. The calculated results did not coincide with data from laboratory tests. The model accurately estimated the number of bed volumes processed for the given operating parameters, but breakthrough times were not accurately predicted, varying 50% or more from the data. The shape of the breakthrough curves also differed from the experimental data, indicating a much wider sorption band. Model modifications are needed to improve its utility and predictive capability. Recommended improvements include: greater flexibility for input of mass transfer parameters, time-variable gas inlet concentration, direct output of loading and temperature profiles along the bed, and capability to conduct simulations of beds in series.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

CMM Interim Check Design of Experiments (U)

Coordinate Measuring Machines (CMM) are widely used in industry, throughout the Nuclear Weapons Complex and at Los Alamos National Laboratory (LANL) to verify part conformance to design definition. Calibration cycles for CMMs at LANL are predominantly one year in length and include a weekly interim check to reduce risk. The CMM interim check makes use of Renishaw’s Machine Checking Gauge which is an off-the-shelf product simulates a large sphere within a CMM’s measurement volume and allows for error estimation. As verification on the interim check process a design of experiments investigation was proposed to test a couple of key factors (location and inspector). The results from the two-factor factorial experiment proved that location influenced results more than the inspector or interaction.

42 ENGINEERING↗
DOE OSTI2015

CMM Interim Check (U)

Coordinate Measuring Machines (CMM) are widely used in industry, throughout the Nuclear Weapons Complex and at Los Alamos National Laboratory (LANL) to verify part conformance to design definition. Calibration cycles for CMMs at LANL are predominantly one year in length. Unfortunately, several nonconformance reports have been generated to document the discovery of a certified machine found out of tolerance during a calibration closeout. In an effort to reduce risk to product quality two solutions were proposed – shorten the calibration cycle which could be costly, or perform an interim check to monitor the machine’s performance between cycles. The CMM interim check discussed makes use of Renishaw’s Machine Checking Gauge. This off-the-shelf product simulates a large sphere within a CMM’s measurement volume and allows for error estimation. Data was gathered, analyzed, and simulated from seven machines in seventeen different configurations to create statistical process control run charts for on-the-floor monitoring.

42 ENGINEERING↗
DOE OSTI2018

Maximum Potential Hydrogen Gas Retention in the sRF Resin Ion Exchange Column for the LAWPS Process

The Low-Activity Waste Pretreatment System (LAWPS) is being developed to provide treated supernatant liquid from the Hanford tank farms directly to the Low-Activity Waste (LAW) Vitrification Facility at the Hanford Tank Waste Treatment and Immobilization Plant. The design and development of the LAWPS is being conducted by Washington River Protection Solutions, LLC. A key process in LAWPS is the removal of radioactive Cs in ion exchange (IX) columns filled with spherical resorcinol-formaldehyde (sRF) resin. One accident scenario being evaluated is the loss of liquid flow through the sRF resin bed after it has been loaded with radioactive Cs and hydrogen gas is being generated by radiolysis. In normal operations, the generated hydrogen is expected to remain dissolved in the liquid and be continuously removed by liquid flow. For an accident scenario with a loss of flow, hydrogen gas can be retained within the IX column both in the sRF resin and below the bottom screen that supports the resin within the column. The purpose of this report is to summarize calculations that estimate the upper-bound volume of hydrogen gas that can be retained in the column and potentially be released to the headspace of the IX column or to process equipment connected to the IX column and, thus, pose a flammability hazard.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Cost Analysis and Projections for U.S.-Manufactured Automotive Lithium-ion Batteries

This document reports on a study conducted to estimate the cost of U.S-produced automotive battery packs for model years (MY) 2023 to 2035, using Argonne National Laboratory’s BatPaC tool. The costs were estimated by designing batteries for several classes of vehicles for four discrete model years (2023, 2026, 2030, and 2035), where a representative battery technology and material prices are selected based on information available today. Correlations were developed from the four discrete years to enable annual pack cost estimates as a function of pack size (kWh) and model year. A consolidated cost curve was then developed that includes battery size, technology by model year, and the anticipated sales volumes of each class of vehicles over the years. This cost curve estimates the volume-averaged, U.S.-manufactured battery pack cost of PHEVs and BEVs in the United States to be $\$140$/kWh for the model year 2023, which will reduce to $\$86$/kWh in MY2035. Applying tax credits from section 45X of the Inflation Reduction Act can further reduce the average pack cost to as low as $\$56$/kWh in MY2029. The report also includes several sensitivity studies that investigate the effect of pack production volume, material prices, fast charge requirements, and labor rates.

25 ENERGY STORAGE↗
DOE OSTI2022

3D hydrogeophysical characterization of managed aquifer recharge basins

Aquifers are increasingly stressed. Managed aquifer recharge provides a potential solution to mitigate this stress and provide sustainable groundwater resources. Subsurface properties are known to have a strong control on the infiltration rates that can be achieved. However, these properties are often highly heterogeneous and difficult to assess with conventional probing techniques. Here, we show the application of 3D geophysical imaging to assess the recharge potential and its variation across several basins used for managed aquifer recharge. We link in-situ measurements of saturated hydraulic conductivity with the electrical resistivity of the subsurface to establish petrophysical relationships and use those relationships to estimate the distribution of hydraulic conductivity throughout the five recharge basins. Our results show a considerable variability in the hydraulic properties, i.e., soil texture and saturated hydraulic conductivity, that have a direct impact on potential infiltration rates. We use the 3D hydraulic property distributions to model groundwater recharge and provide estimates for infiltration rates and volumes, and use this approach to assess the impact of management activities on groundwater recharge performance. Having such data not only enables us to predict infiltration rates, but also provides means for optimizing such water infrastructure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Allometric, Growth, and Biomass Estimation Models for Acacia dealbata Link.: A Case Study in Serra da Estrela Natural Park (Portugal)

Allometric, growth, and biomass estimation models for the quantification of missing parameters in trees are widely used to estimate the productivity of a stand. However, regarding species with lower economic interest, or exotic invasive species, the creation of these tools did not occur in the same way as for other species, lacking the development of relationships to allow a deeper study of these species. Thus, data were collected in a settlement of Acacia dealbata Link. in Portugal, in an area known for the current infestation of this species. After a bibliographic review, some of the identified models were tested to select those who best fit the characteristics of this stand, which were used to develop relationships that, based on the data collected, would be able to estimate parameters, such as height, volume, or mass. It was found that the models established, at least for the initial 20 years of the life of the trees, followed close to a linear model. However, the model still presents some weaknesses. For being considered an invasive species in Portugal, A. dealbata is frequently controlled, and for this reason it is very difficult to find trees older than 20 years.

Nunes, Leonel J. R. (ORCID:0000000154048163)↗
DOE OSTI2021

Ice-nucleating particles in precipitation samples from the Texas Panhandle

Ice-nucleating particles (INPs) influence the formation of ice crystals in clouds and many types of precipitation. This study reports unique properties of INPs collected from 42 precipitation samples in the Texas Panhandle region from June 2018 to July 2019. We used a cold stage instrument called the West Texas Cryogenic Refrigerator Applied to Freezing Test system to estimate INP concentrations per unit volume of air (nINP) through immersion freezing in our precipitation samples with our detection capability of >0.006 INP L -1 . A disdrometer was used for two purposes: (1) to characterize the ground-level precipitation type and (2) to measure the precipitation intensity as well as size of precipitating particles at the ground level during each precipitation event. While no clear seasonal variations of n INP values were apparent, the analysis of yearlong ground-level precipitation observation as well as INPs in the precipitation samples showed some INP variations, e.g., the highest and lowest n INP values at -25°C both in the summer for hail-involved severe thunderstorm samples (3.0 to 1130 INP L -1 ), followed by the second lowest at the same temperature from one of our snow samples collected during the winter (3.2 INP L -1 ). Furthermore, we conducted bacteria community analyses using a subset of our precipitation samples to examine the presence of known biological INPs. In parallel, we also performed metagenomics characterization of the bacterial microbiome in suspended ambient dust samples collected at commercial open-lot livestock facilities (cattle feedyards hereafter) in the Texas Panhandle (i.e., the northernmost counties of Texas, also known as “West Texas”) to ascertain whether local cattle feedyards can act as a source of bioaerosol particles and/or INPs found in the precipitation samples. Some key bacterial phyla present in cattle feedyard samples appeared in precipitation samples. However, no known ice nucleation active species were detected in our samples. Overall, our results showed that cumulative n INP in our precipitation samples below -20°C could be high in the samples collected while observing > 10 mm h -1 precipitation with notably large hydrometeor sizes and an implication of cattle feedyard bacteria inclusion.

54 ENVIRONMENTAL SCIENCES↗