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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Analysis of gas absorption to a thin liquid film in the presence of a zero-order chemical reaction

The paper presents a detailed theoretical analysis of the process of gas absorption to a thin liquid film adjacent to a horizontal rotating disk. The film is formed by the impingement of a controlled liquid jet at the center of the disk and subsequent radial spreading of liquid along the disk. The chemical reaction between the gas and the liquid film can be expressed as a zero-order homogeneous reaction. The process was modeled by establishing equations for the conservation of mass, momentum, and species concentration and solving them analytically. A scaling analysis was used to determine dominant transport processes. Appropriate boundary conditions were used to solve these equations to develop expressions for the local concentration of gas across the thickness of the film and distributions of film height, bulk concentration, and Sherwood number along the radius of the disk. The partial differential equation for species concentration was solved using the separation of variables technique along with the Duhamel's theorem and the final analytical solution was expressed using confluent hypergeometric functions. Tables for eigenvalues and eigenfunctions are presented for a number of reaction rate constants. A parametric study was performed using Reynolds number, Ekman number, and dimensionless reaction rate as parameters. At all radial locations, Sherwood number increased with Reynolds number (flow rate) as well as Ekman number (rate of rotation). The enhancement of mass transfer due to chemical reaction was found to be small when compared to the case of no reaction (pure absorption), but the enhancement factor was very significant when compared to pure absorption in a stagnant liquid film. The zero-order reaction processes considered in the present investigation included the absorption of oxygen in aqueous alkaline solutions of sodiumdithionite and rhodium complex catalyzed carbonylation of methanol. Present analytical results were compared to previous theoretical results for limiting conditions, and were found to have very good agreement.

Rajagopalan, S.↗
DOE OSTI2016

Atomic and electronic structure of Lomer dislocations at CdTe bicrystal interface

Extended defects are of considerable importance in determining the electronic properties of semiconductors, especially in photovoltaics (PVs), due to their effects on electron-hole recombination. We employ model systems to study the effects of dislocations in CdTe by constructing grain boundaries using wafer bonding. Atomic-resolution scanning transmission electron microscopy (STEM) of a [1–10]/ (110) 4.8° tilt grain boundary reveals that the interface is composed of three distinct types of Lomer dislocations. Geometrical phase analysis is used to map strain fields, while STEM and density functional theory (DFT) modeling determine the atomic structure at the interface. The electronic structure of the dislocation cores calculated using DFT shows significant mid-gap states and different charge-channeling tendencies. Cl-doping is shown to reduce the midgap states, while maintaining the charge separation effects. In conclusion, this report offers novel avenues for exploring grain boundary effects in CdTe-based solar cells by fabricating controlled bicrystal interfaces and systematic atomic-scale analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Resistance Exercise and Inflammation in Breast Cancer Patients Undergoing Adjuvant Radiation Therapy: Mediation Analysis From a Randomized, Controlled Intervention Trial

Purpose: To explore the mediating role of inflammatory parameters in the development of fatigue, pain, and potentially related depressive symptoms during radiation therapy for breast cancer and its mitigation by resistance exercise. Methods and Materials: Breast cancer patients scheduled for adjuvant radiation therapy were randomized to 12-week progressive resistance exercise training (EX) or a relaxation control group. Interleukin-6 (IL-6) and interleukin-1 receptor antagonist (IL-1ra) were measured in serum samples collected before, at the end, and 6 weeks after radiation therapy from 103 chemotherapy-naïve participants. Fatigue was assessed with the multidimensional Fatigue Assessment Questionnaire, pain with the European Organization for Research and Treatment of Cancer QLQ-C30, and depressive symptoms with the Center for Epidemiologic Studies Depression Scale. Analysis of covariance models, partial correlations, Freedman-Schatzkin tests, and R{sup 2} effect-size measures for mediation were calculated. Results: The analysis of covariance models revealed a significant intervention effect on IL-6 (P=.010) and the IL-6/IL-1ra ratio (P=.018), characterized by a marked increase during radiation therapy among controls, but no significant change in EX. Interleukin-1 receptor antagonist did not change significantly in either group (P=.88). Increased IL-6 and IL-6/IL-1ra levels at the end of radiation therapy were significantly associated with increased physical fatigue and pain 6 weeks after radiation. We observed significant partial mediation by IL-6 and IL-6/IL-1ra of the effect of resistance exercise on physical fatigue (Freedman-Schatzkin P=.023 and P<.001) and pain (both P<.001). Hereby IL-6 and IL-6/IL-1ra mediated between 15% and 24% of the variance of physical fatigue and pain explained by the intervention. Conclusions: This randomized, controlled trial showed a significantly increased proinflammatory cytokine level after adjuvant radiation therapy in breast cancer patients. This effect was counteracted by progressive resistance exercise training. Interleukin-6 and the IL-6/IL-1ra ratio seemed to mediate the beneficial effect of exercise on physical fatigue and pain but only to a small extent.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Modeling ocean, rail, and truck transportation flows to support policy analysis

Freight transportation represents about 9.5% of GDP in the U.S., it is responsible for about 8% of greenhouse gas emissions, and supports the import and export of about 3.6 trillion in international trade. It is therefore important that the national freight transportation system is designed and operated efficiently. Hence, this paper develops a mathematical model to estimate international and domestic freight flows across ocean, rail, and truck modes, which can be used to study the impacts of changes in our infrastructure, as well as the imposition of new user fees and changes in operating policies. The model integrates a user equilibrium-based logit argument for path selection with a system optimal argument for rail network operations. This leads to the development of a unique solution procedure that is demonstrated in a large-scale analysis focused on all intercity freight and U.S export/import containerized freight. The model results are compared with the reported flow volumes. Here, the model is applied to two case studies: a disruption of the seaports of Los Angeles and Long Beach (LA and LB) similar to the impacts that would be felt in an earthquake; and implementation of new user fees at the California ports.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Adhesion and Wetting of Soft Nanoparticles on Textured Surfaces: Transition between Wenzel and Cassie-Baxter States

We use a combination of the molecular dynamics simulations and scaling analysis to study interactions between gel-like nanoparticles and substrates covered with rectangular shape posts. Our simulations have shown that nanoparticle in contact with substrate undergo first order transition between Wenzel and Cassie-Baxter state which location depends on nanoparticle shear modulus, the strength of nanoparticle-substrate interactions, height of the substrate posts and nanoparticle size, R p . There is a range of system parameters where these two states coexist such that the average indentation δ produced by substrate posts changes monotonically with nanoparticle shear modulus, G p . We have developed a scaling model that describes deformation of nanoparticle in contact with patterned substrate. In the framework of this model the effect of the patterned substrate can be taken into account by introducing an effective work of adhesion, W eff , which describes the first order transition between Wenzel and Cassie-Baxter states. There are two different shape deformation regimes for nanoparticles with shear modulus G p and surface tension γ p . Shape of small nanoparticles with size R p < γ p 3/2 G p -1 W eff -1/2 is controlled by capillary forces while deformation of large nanoparticles, R p > γ p 3/2 G p -1 W eff -1/2</sup, is determined by nanoparticle elastic and contact free energies. The model predictions are in a good agreement with simulation results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sample Size Effects on Petrophysical Characterization and Fluid-to-Pore Accessibility of Natural Rocks

Laboratory-scale analysis of natural rocks provides petrophysical properties such as density, porosity, pore diameter/pore-throat diameter distribution, and fluid accessibility, in addition to the size and shape of framework grains and their contact relationship with the rock matrix. Different types of laboratory approaches for petrophysical characterization involve the use of a range of sample sizes. While the sample sizes selected should aim to be representative of the rock body, there are inherent limitations imposed by the analytical principles and holding capacities of the different experimental apparatuses, with many instruments only able to accept samples at the μm–mm scale. Therefore, a total of nine (three limestones, three shales, two sandstones, and one dolomite) samples were collected from Texas to fill the knowledge gap of the sample size effect on the resultant petrophysical characteristics. The sample sizes ranged from 3 cm cubes to <75 μm particles. Using a combination of petrographic microscopy, helium expansion pycnometry, water immersion porosimetry, mercury intrusion porosimetry, and (ultra-) small-angle X-ray scattering, the impact of sample size on the petrophysical properties of these samples was systematically investigated here. The results suggest that the sample size effect is influenced by both pore structure changes during crushing and sample size-dependent fluid-to-pore connectivity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Earth Microbiome Project and Global Systems Biology

Recently, we published the first large-scale analysis of data from the Earth Microbiome Project (1, 2), a truly multidisciplinary research program involving more than 500 scientists and 27,751 samples acquired from 43 countries. These samples represent myriad specimen types and span a wide range of biotic and abiotic factors, geographic locations, and physicochemical properties. The database (https://qiita.ucsd.edu/emp/) is still growing, with over 90,000 amplicon datasets, >500 metagenomic runs, and metabolomics datasets from a similar number of samples. Importantly, the techniques, data and analytical tools are all standardized and publicly accessible, providing a framework to support research at a scale of integration that just 7 years ago seemed impossible.

Gilbert, Jack A.↗
DOE OSTI2019

Progress on Grizzly Development for Reactor Pressure Vessels and Reinforced Concrete Structures

The Grizzly code has been under development for the U.S. Department of Energy’s Light Water Reactor Sustainability program to provide predictive tools for the evolution of material degradation in critical light water reactor structural components due to long-term exposure to the environmental conditions of normal reactor operation, and for the effects of this degradation on the safety of these components. This development has primarily targeted reactor pressure vessels and reinforced concrete structures. Work performed during Fiscal Year 2019 added important features for both of these types of structures. For probabilistic fracture mechanics analysis of reactor pressure vessels, capabilities were added to account for the effects of warm prestressing and residual stresses, as well as to model crack initiation, growth, and arrest. For modeling microstructure evolution in reactor pressure vessels, a cluster dynamics model for evolution of Mn-Ni-Si phases has been implemented. For modeling degraded reinforced concrete structures, capabilities to consider the combined effects of damage and creep in the concrete constitutive model and model nonlinear behavior of reinforcing bars has been added. These newly-developed features fill important gaps in Grizzly’s feature set for engineering-scale analysis of degraded reactor pressure vessels and reinforced concrete structures. Grizzly development in both of these areas has reached a point where it is ready for extensive testing on relevant engineering problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Direct numerical simulations for hybrid rocket boundary layers: Performance modeling and scaling

This paper presents a comprehensive performance and scaling analysis of direct numerical simulations for reacting boundary layers, focusing on slab burner configurations. Using a PETSc-based finite volume CFD framework, the study evaluates the scalability and computational cost of flow, chemistry, and radiation evaluations across 2D and 3D simulations. Polymethyl methacrylate (PMMA) is the fuel with pure O 2 as the oxidizer, modeled using a detailed chemical kinetics mechanism with 113 species and 660 reactions. A ray-tracing-based radiation solver, designed for distributed memory applications, is implemented to model radiation heat transfer. Parallel scalability is analyzed for the coupled flow, chemistry, and radiation heat transfer processes. Weak and strong scaling studies are conducted on up to 15,000 computational ranks, revealing robust performance when flow cells exceed 200 per rank. Chemistry evaluations dominate the computational cost in large 3D simulations, accounting for approximately 40% of the total runtime, while flow processes contribute around 35%, and radiation solver contributions remain below 10% due to reduced evaluation frequencies. GPU accelerated chemistry evaluation, implemented with Zero-RK, demonstrates significant promise, achieving up to a 4x speedup for workloads exceeding 30,000 cells per GPU. However, diminishing returns are observed for smaller workloads due to CPU-GPU communication overhead. This study identifies key challenges, including memory bottlenecks and the effects of domain partitioning on flow scalability, while highlighting the potential of GPU-accelerated chemistry to reduce computational costs. In conclusion, these findings provide realizable run configurations for 2D, 3D, and GPU-accelerated cases, offering insights for optimizing reactive flow solvers.

CFD Scalability↗
DOE OSTI2016

Experimental study on a simplified facility of HTGR reactor building response to depressurization accidental scenarios - 18516

The analysis and understanding of air ingress events is an important aspect in the design of The High Temperature Gas Cooled Reactor (HTGR) accident scenarios including Depressurized Loss of Forced Cooling (D-LOFC) events that allow for the possibility of air ingress into the Reactor Pressure Vessel (RPV) as the result of a break in the helium pressure boundary which can ultimately result in oxidation of the fuel elements and other nuclear-grade graphite components. In order to characterize the air ingress into the vented low pressure compartments (VLPC) of NGNP HTGR during hypothetical small break D-LOFC accidents experimentally, a 1/28 down scaled simplified reactor building model was developed. A non-dimensional similarity approach was employed for the scaling analysis of the experimental facility. Two experiments were conducted under similar experimental conditions, with 1.1 kg/h helium injection through the top of the reactor cavity, resulting in oxygen concentrations reaching to steady state within 4 minutes. Differences between the steady state oxygen concentrations results in the steam generator cavity of the two tests with the same experimental conditions were 0.51{+-}0.086% at the top of the steam generator cavity and 0.29{+-}0.11% at the bottom of the steam generator cavity. Difference in the pressure in the reactor between the two experiments were 0.09{+-}0.026 psig. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Global and regional perspectives on optimizing thermo-responsive dynamic windows for energy-efficient buildings

Architectural thermo-responsive dynamic windows offer an autonomous solution for solar heat regulation, thereby reducing building energy consumption. Previous work has emphasized the significance of thermo-responsive windows in hot climates due to their role in solar heat control and subsequent energy conservation; conversely, our study provides a different perspective. Through a global-scale analysis, we explore over 100 material samples and execute more than 2.8 million simulations across over two thousand global locations. World heatmap results, derived from well-trained artificial neural network models, reveal that thermo-responsive windows are especially useful in climates where buildings demand both heating and cooling energy, whereas thermo-responsive windows with optimal transition temperatures show no dynamic features in most of low-latitude tropical regions. Additionally, this study provides a practical guideline and an open-source mapping tool to optimize the intrinsic properties of thermo-responsive materials and evaluate their energy performance for sustainable buildings at various geographical scales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

High-fidelity micro-scale modeling of the thermo-visco-plastic behavior of carbon fiber polymer matrix composites

An experimentally validated micro-scale analysis of the visco-thermo-mechanical behavior of polymer matrix composites under different loads is proposed. A new constitutive law for the matrix material is developed taking into account the pressure dependence of the material as well as strain-rate and temperature dependence. Capturing the matrix behavior under multi-axial stress states is concluded to be essential to accurately predict the composite material behavior, even when considering simple load cases such as transverse compression and/or shear. Without any calibration procedure at the composite level, good agreement with the experimental data is observed for different loading conditions, including strain-rate dependency. Using this validated micro-scale model, a three-dimensional simulation of the formation of a kink band under longitudinal compression of the composite is conducted. A new evidence at micro-scale is found supporting the hypothesis that shear stresses transferred between fibers and matrix are particularly important in the formation of the kink band.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigate the Performance and Cost Benefits of Using a Magnetically Geared Generator (MGG) for a Hydropower Generator

The operating principles of MGs have been explained in section 1. In section 3, the ideal MG design will be discussed with a pole pair combination of 11-71-60. The parameter sweeping analysis has been conducted. In section 4, another design with extended magnets is discussed. The flux concentration topology will be discussed in section 5. In order to reduce the simulation time, especially when doing the loss analysis in 3-D, a new pole pair combination (12-78-66) has been chosen so that the MG can be simulated in a 1/6 model which is present in section 6. In section 7, a MG with extra radial flux will be introduced and the performance will be evaluated. The deflection and loss are also discussed. In section 8, the stage 2 MG will be discussed which uses a similar topology as stage 1 MG. The mechanical deflection of the rods and the efficiency will be calculated. In section 9, the stator will be added inside the stage 2 MG. The fractional winding distribution will be designed. The cost and scaling analysis are discussed in section 10 and section 11, respectively.

13 HYDRO ENERGY↗
NASA NTRS1994

Orbital processing of high-quality CdTe compound semiconductors

CdZnTe crystals were grown in one-g and in micro-g for comparative analysis. The two micro-g crystals were grown in the Crystal Growth Furnace during the First United States Microgravity Laboratory mission (USML-1). The samples were analyzed for chemical homogeneity, structural perfection, and optoelectronic performance (infrared transmission). Fourier Transform Infrared (FTIR) transmission of both ground and flight materials showed that the infrared transmission was close to theoretical, 63% versus 66%, suggesting that the material was close to the stochiometric composition during both the ground and flight experiments. Infrared microscopy confirmed that the principal precipitates were Te and their size (1-10 microns) and density suggested that the primary flight and ground base samples experienced similar cooling rates. Macrosegregation was predicted, using scaling analysis, to be low even in one-g crystals and this was confirmed experimentally, with nearly diffusion controlled growth achieved even in the partial mixing regime on the ground. Radial segregation was monitored in the flight samples and was found to vary with fraction solidified, but was disturbed due to the asymmetric grvitational and thermal fields experienced by the flight samples. The flight samples, however, were found to be much higher in structural perfection than the ground samples produced in the same furnace under identical growth conditions except for the gravitational level. Rocking curve widths were found to be substantially reduced, from 20/35 (one-g) to 9/20 (micro-g) for the best regions of the crystals. The full width at half maximum (FWHM) of 9 arc seconds is as good as the best reported terrestrially for this material. The ground samples were found to have a fully developed mosaic structure consisting of subgrains, whereas the flight sample dislocations were discrete and no mosaic substructure was evident. The defect density was reduced from 50-100,000 (one-g) to 500-25000 EPD (micro-g). These results were confirmed using rocking curve analysis, synchrotron topography, and etch pit analysis. The low dislocation density is thought to have resulted from the near-absence of hydrostatic pressure which allowed the melt to solidify with minimum or no wall contact, resulting in very low stress being exerted on the crystal during growth or during post-solidification cooling.

Larson, David J., Jr.↗
DOE OSTI2016

Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis

Understanding defects and influence of dislocations on dicalcium silicates (Ca{sub 2}SiO{sub 4}) is a challenge in cement science. We report a high-resolution transmission electron microscopy image of edge dislocations in Ca{sub 2}SiO{sub 4}, followed by developing a deep atomic understanding of the edge dislocation-mediated properties of five Ca{sub 2}SiO{sub 4} polymorphs. By decoding the interplay between core dislocation energies, core structures, and nucleation rate of reactivity, we find that γ-C2S and α-C2S polymorphs are the most favorable polymorphs for dislocations in Ca{sub 2}SiO{sub 4}, mainly due to their large pore channels which take away majority of the distortions imposed by edge dislocations. Furthermore, in the context of edge dislocation, while α-C2S represents the most active polymorph for reactivity and crystal growth, β-C2S represents the most brittle polymorph suitable for grinding. This work is the first report on the atomistic-scale analysis of edge dislocation-mediated properties of Ca{sub 2}SiO{sub 4} and may open up new opportunities for tuning fracture and reactivity processes of Ca{sub 2}SiO{sub 4} and other cement components.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hydropower Infrastructure – LAkes, Reservoirs, and RIvers (HILARRI)

HILARRI is a database of links between major datasets of operational hydropower dams and powerplants, and inland water bodies. These connections are critical for conducting large-scale analysis of hydropower infrastructure and their associated natural and engineered water systems. Features include: – Dams from the National Inventory of Dams (2024) and the Global Reservoir and Dam Database (GRanD v1.3) – Hydropower plants from the Existing Hydropower Assets dataset (EHA 2024) These hydropower infrastructure features are linked to several major datasets that provide hydrologic and hydraulic information relevant for analysis of hydropower systems that includes the integral water resources. That information comes from: – Products from the National Hydrography Dataset (NHD) – NHDPlusV2 Medium Resolution river network flowlines, – NHD waterbodies (limited to lakes and reservoirs), – NHD Watershed Boundary Dataset (HUC12-level for the Conterminous United States (CONUS)) – NHD High Resolution waterbodies – HydroLAKES water bodies (lakes and reservoirs) – LAGOS-US lakes and reservoirs – EPA National Lakes Assessment (2007, 2012, 2017, and 2022) – The Reservoir Sedimentation Database (RESSED) Unique identifiers are used to facilitate joining to the original full datasets. For example, characteristics of NHD flowlines such as estimated average flow rate can be joined from the NHDPlusV2 dataset to a dam or power plant listed in HILARRI based on the ID field, “COMID”, that is common to both datasets. HILARRI only includes basic information about identifiers, location, and data quality or usage notes. It does not contain the attributes or time series data associated with these sites. The HILARRI dataset incorporates information from several datasets to facilitate more effective and accurate analysis of hydropower infrastructure and their associated waterbodies. For example, dams were checked against the most recent American Rivers Dam Removal Database to identify and flag facilities that may no longer exist. Additionally, dams that are listed multiple times in the NID are identified and flagged to avoid double-counting when analyzing and summarizing information. Other quality flags include certainty of operational hydropower (i.e., if one or more datasets indicates hydropower at a particular location), whether an associated water body is accurate or composed of multiple polygons, or whether there is a known issue with reported characteristics in one of the underlying datasets. These additional data flags are designed to increase confidence in data usage for individual to large-scale analyses.

13 HYDRO ENERGY↗
DOE OSTI2012

The Curie temperature distribution of FePt granular magnetic recording media

We present atomistic calculations of the magnetic phase transition behavior in an L1{sub 0} FePt system to study the effect of grain size distribution on the Curie temperature (T{sub c}) dispersion with relevance to heat assisted magnetic recording. Identifying the relation between the size and T{sub c} of a grain by means of finite size scaling analysis of the differentiated magnetization versus T data allows to show that a lognormal size distribution transforms into a lognormal T{sub c} distribution with moments dependent on the critical exponents. We also address the question of the universality class of FePt.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Numerical Simulation of THM Growth of CdTe in Presence of Rotating Magnetic Fields

The influence of rotating magnetic fields (RMF) on the flow pattern and compositional uniformity in the solution zone of a traveling heater method (THM) system for growth of CdTe is numerically investigated. The analysis is conducted at the 10(exp -6) and 10(exp -1) g(sub 0) as representative of space and ground processing conditions. It is shown that under microgravity conditions, application of RMF can be used to overwhelm residual buoyancy-induced convection and to control the uniformity of solution-zone composition at the growth front without appreciable modification of the growth interface shape. At high gravity levels, RMF is found not to be able to completely dominate buoyancy-induced convection. In this regime, for the range of field strengths studied, RMF is found to result in a) complex flow structures in the solution zone, b) enhancement of compositional non-uniformities at the growth front, and c) increased convexity of the growth interface. A scaling analysis of convection in the solution zone is used to generate a non-dimensional map delineating the RMF- and gravity-dominated flow regimes.

Ghaddar, Chahid K.↗