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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental study of energy-dependent angular broadening of MeV electron beams for high-resolution imaging in thick samples

In scanning transmission electron microscopy (STEM), spatial resolution is primarily influenced by the projected size of the electron probe within the specimen. In thin samples, a large semi-convergence angle enables a tightly focused beam and sub-nanometer resolution. However, in thick specimens, resolution is fundamentally limited by transverse beam broadening from multiple large-angle scattering events—for example, a probe with 10 mrad angular divergence can broaden by ∼100 nm over a 10 μm path. Since this broadening scales inversely with beam energy, MeV-STEM offers a promising route for high-resolution imaging in thick materials. To quantitatively assess this effect, we performed high-precision measurements at UCLA’s PEGASUS beamline, characterizing beam divergence and intensity profiles for 3–8 MeV electrons transmitted through a wedged-silicon sample of varying thickness. Our results reconcile discrepancies among analytical models and validate Monte Carlo simulations. Here, we find that increasing beam energy from 3.0 to 5.8 MeV reduces angular broadening by a factor of 2.6, with diminishing returns observed at 7.6 MeV. These findings provide a quantitative framework for optimizing MeV-STEM parameters in high-resolution imaging of thick biological and microelectronic specimens, and for guiding beam energy selection in other advanced imaging modes beyond STEM.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding the Impacts of Biomass Blending on the Uncertainty of Hydrolyzed Sugar Yield from a Stochastic Perspective

Feedstock price and availability are key challenges for biorefinery development and biomass blending has been suggested as a route to overcome these limitations. However, the impacts of feedstock blending on the variability of yields of hydrolyzed sugar remained unclear. This study quantifies the uncertainties in the sugar yields from the blends of corn stover, switchgrass, and grass clippings by considering both variable and model uncertainties. The results indicate that feedstock blending reduces the uncertainties in sugar yields and delivers feedstock of more uniform quality. A further investigation on xxx demonstrates that the reduction in overall uncertainty is achieved by reduced compositional uncertainties of blended feedstock. Based on these results, the optimization of blending ratios was performed with respect to three objectives: (1) probability of meeting the sugar yield target; (2) expected sugar yields; and (3) sugar yield per unit feedstock expense, while satisfying constraints of feedstock availability and cost. In conclusion, the optimization method developed in this study, is readily applied to other combinations of feedstocks, biofuels production processes, and constraints.

09 BIOMASS FUELS↗
NASA NTRS1974

An algorithm for a general class of routing problems derived from Huygens' principle

If a set of N points or nodes with a nonnegative cost associated with each ordered pair is known, it is desired to find a path from one given node to another given node which minimizes the cost sum. An algorithm is presented which yields a global minimum solution after at most N - 1 iterations or on a typical large third-generation computer, after 1 hour of computation time for a 10,000-node problem. The rapid-access data storage capacity demanded by the algorithm is approximately 3N words for costs read in from slow-access storage or 2N words for calculable costs. The time-storage requirements of the algorithm known to the authors. When the problem is viewed as a discretized optimal control problem, after N-1 iterations, an optimal control or node transition is established for each of the N nodes or states; thus, the algorithm can be applied to situations were there may be errors in the control that necessitate a closed loop control that necessitate a closed loop control philosophy.

Avis, L. M.↗
DOE OSTI2018

Effects of carbon content and size on Ti-C reaction behavior and resultant properties of Cu-Ti-C alloy system

Highlights: • TiC-strengthened Cu alloys were synthesized by an in situ powder metallurgy route. • Effect of C/Ti ratio on electrical and mechanical properties was studied. • Ti-C reaction behavior during powder metallurgy process was discussed. • Microstructure evolution during present process was analyzed. - Abstract: TiC-strengthened Cu alloys with various nominal compositions were prepared by a high-energy ball-milling process, followed by consolidation using spark plasma sintering (SPS), and a subsequent heat treatment. The results indicated that the lower atomic ratio of C/Ti, the more residual Ti in copper matrix, resulting in a lower electrical conductivity but higher microhardness of alloy. The optimal atomic ratio was found to be close to1.0. The reaction behavior of Ti-C in the Cu-Ti-C system during this process was investigated. Microstructural results suggested that TiC formation is through a diffusion-controlled mechanism. A thin TiC layer was formed at the surface of C particles, and the growth of TiC layer was controlled by interdiffusion of C and Ti atoms across the TiC layer. An incomplete chemical reaction between Ti and C, characterized by a core-shell structure, was observed when the initial C particles were large, and the TiC particle size was found to strongly depending on the C particle size.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Engineering glycoside hydrolase stability by the introduction of zinc binding

The development of robust enzymes, in particular cellulases, is a key step in the success of biological routes to `second-generation' biofuels. The typical sources of the enzymes used to degrade biomass include mesophilic and thermophilic organisms. The endoglucanase J30 from glycoside hydrolase family 9 was originally identified through metagenomic analyses of compost-derived bacterial consortia. These studies, which were tailored to favor growth on targeted feedstocks, have already been shown to identify cellulases with considerable thermal tolerance. The amino-acid sequence of J30 shows comparably low identity to those of previously analyzed enzymes. As an enzyme that combines a well measurable activity with a relatively low optimal temperature (50°C) and a modest thermal tolerance, it offers the potential for structural optimization aimed at increased stability. Here, the crystal structure of wild-type J30 is presented along with that of a designed triple-mutant variant with improved characteristics for industrial applications. Through the introduction of a structural Zn 2+ site, the thermal tolerance was increased by more than 10°C and was paralleled by an increase in the catalytic optimum temperature by more than 5°C.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Ocean thermal plant

A floating energy converter is described which uses large volumes of sea water to produce electrical power. In this plant, a fluid working medium is pumped to an evaporator where is is heated by a flow of warm surface sea water. The fluid in liquid form boils to a pressurized gas vapor which is routed to drive a turbine that, in turn, drives a generator for producing electricity. The gas vapor then enters a condenser immersed in cold sea water pumped from lower depths, condenses to its original liquid form, and then pumped to the evaporator to repeat the cycle. Modular components can be readily interchanged on the ocean thermal unit and inlet pipes for the sea water are provided with means for maintaining the pipes in alignment with the oncoming current. The modular construction allows for the testing of various components to provide a more rapid optimization of a standardized plant.

Owens, L. J.↗
NASA NTRS2019

Effect of Out-Gassing on the Onset of Hypersonic Boundary Layer Transition

Prediction and control of the onset of transition and the associated variation in aerothermodynamic parameters in high-speed flows is key to optimize the performance and design of Thermal Protection Systems (TPS) of next-generation aerospace vehicles [1]. Boundary Layer Transition (BLT) characteristics can influence the surface heating budget determining the TPS thickness and consequently its weight penalty. Ablative heatshields are designed to alleviate the high heat flux at the surface through pyrolysis of their polymeric matrix and subsequent fiber ablation [2]. Pyrolysis leads to out-gassing and non-uniform ablation lead to surface roughness, both of which are known to influence the transition process. An ablator impacts BLT through three main routes: gas injecting into the boundary layer from the wall, changing the surface heat transfer due to wall-flow chemical reactions, and modifying surface roughness [3]. In preparation to Mars 2020 mission post-flight analysis, the predictive transition capability has been initiated toward hard-coupling porous material response analysis and aerothermal environment calculation.

Karimi, Mona↗
DOE OSTI2018

Microstructure and coercivity in alnico 9

Magnetic property enhancement of alnico, a rare-earth free permanent magnet, is highly dependent on both the initial microstructure and the evolution of the spinodal decomposition (SD) inside each grain during the heat treatment process. The size, shape and distribution of the magnetic FeCo-rich (α 1 ) phase embedded in continuous non-magnetic AlNi-rich (α 2 ) phase as well as a minor Cu-enriched phase residing in between are shown to be crucial in controlling coercivity. Phase and magnetic domain morphology in a commercial alnico 9 alloy was studied using a combination of structural characterization techniques, including scanning electron microscopy, electron backscatter diffraction, aberration-corrected scanning transmission electron microscopy and Lorentz microscopy. Our results showed that casting created structural nonuniformity and defects, such as porosity, TiS 2 precipitates and grain misorientation, are heterogeneously distributed, with the center section having the best crystallographic orientation and minimal defects. The optimal spinodal is a “mosaic structure”, composed of rod-shape α1 phase with {110} or {100} planar faceting and diameter of ~30–45nm. There is also a Cu-enriched phase residing at the corners of two < 110 > facets of the α1 phase. Furthermore, it was observed that grain boundary phase reverse magnetization direction at lower external magnetic field compared to the SD region inside the grain. Improving grain orientation uniformity, reducing detrimental grain boundary phase volume fraction, and the branching of the α 1 rods, as well as their diameter, are promising routes to improve energy product of alnico.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Joint Design of Multimodal Transit Networks and Shared Autonomous Mobility Fleets

Providing quality transit service to travelers in low-density areas, particularly travelers without personal vehicles, is a constant challenge for transit agencies. The advent of fully-autonomous vehicles (AVs) and their inclusion in mobility service fleets may allow transit agencies to offer better service and/or reduce their own capital and operational costs. This study focuses on the problem of allocating resources between transit patterns and operating (or subsidizing) shared-use AV mobility services (SAMSs) in a large metropolitan area. To address this question, a joint transit network redesign and SAMS fleet size determination problem (JTNR-SFSDP) is introduced, and a bi-level mathematical programming formulation and solution approach are presented. The upper-level problem modifies a transit network frequency setting problem (TNFSP) formulation via incorporating SAMS fleet size as a decision variable and allowing the removal of bus routes. The lower-level problem consists of a dynamic combined mode choice-traveler assignment problem (DCMC-TAP) formulation. The heuristic solution procedure involves solving the upper-level problem using a nonlinear programming solver and solving the lower-level problem using an iterative agent-based assignment-simulation approach. To illustrate the effectiveness of the modeling framework, this study uses traveler demand from Chicago along with the regions existing multimodal transit network. The computational results indicate significant traveler benefits, in terms of improved average traveler wait times, associated with optimizing the joint design of multimodal transit networks and SAMS fleets compared with the initial transit network design.

bi-level programming↗
DOE OSTI2023

Natural and enriched Cr target development for production of Manganese-52

52 Mn is a promising PET radiometal with a half-life of 5.6 days and an average positron energy of 242 keV. Typically, chromium of natural isotope abundance is used as a target material to produce this isotope through the nat/52 Cr(p,n) 52 Mn reaction. While natural Cr is a suitable target material, higher purity 52 Mn could be produced by transitioning to enriched 52 Cr targets to prevent the co-production of long-lived 54 Mn (t 1/2 = 312 day). Unfortunately, 52 Cr targets are not cost-effective without recycling processes in place, therefore, this work aims to explore routes to prepare Cr targets that could be recycled. Natural Cr foils, metal powder pellets, enriched chromium-52 oxide and Cr(III) electroplated targets were investigated in this work. Each of these cyclotron targets were irradiated, and the produced 52 Mn was purified, when possible, using a semi-automated system. An improved purification by solid-phase anion exchange from ethanol-HCl mixtures resulted in recoveries of 94.5 ± 2.2% of 52 Mn. The most promising target configuration to produce a recyclable target was electroplated Cr(III). This work presents several pathways to optimize enriched Cr targets for the production of high purity 52 Mn.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2014

Evaluating LSM-Based Water Budgets Over a West African Basin Assisted with a River Routing Scheme

Within the framework of the African Monsoon Multidisciplinary Analysis (AMMA) Land Surface Model Intercomparison Project phase 2 (ALMIP-2), this study evaluates the water balance simulated by the Interactions between Soil, Biosphere, and Atmosphere (ISBA) over the upper Oum River basin, in Benin, using a mesoscale river routing scheme (RRS). The RRS is based on the nonlinear Muskingum Cunge method coupled with two linear reservoirs that simulate the time delay of both surface runoff and base flow that are produced by land surface models. On the basis of the evidence of a deep water-table recharge in that region,a reservoir representing the deep-water infiltration (DWI) is introduced. The hydrological processes of the basin are simulated for the 2005-08 AMMA field campaign period during which rainfall and stream flow data were intensively collected over the study area. Optimal RRS parameter sets were determined for three optimization experiments that were performed using daily stream flow at five gauges within the basin. Results demonstrate that the RRS simulates stream flow at all gauges with relative errors varying from -22% to 3% and Nash-Sutcliffe coefficients varying from 0.62 to 0.90. DWI varies from 24% to 67% of the base flow as a function of the sub-basin. The relatively simple reservoir DWI approach is quite robust, and further improvements would likely necessitate more complex solutions (e.g., considering seasonality and soil type in ISBA); thus, such modifications are recommended for future studies. Although the evaluation shows that the simulated stream flows are generally satisfactory, further field investigations are necessary to confirm some of the model assumptions.

Multidisciplinary↗
DOE OSTI2017

Quantum chemical studies of azoles

The results of theoretical search for model transition states of the electrophilic substitution reaction in 2H-tetrazole (1) without the preliminary formation of N-protonated azolium salts are presented for two routes that were previously suggested by the authors and thermodynamically investigated: A, the attack of molecule 1 by the nucleophile (HO{sup –}(aq)) to form the anion to which the electrophile H{sub 3}O{sup +}(aq)) is added and B, the attack of molecule 1 by the same electrophile followed by the addition of the same nucleophile to the specifically solvated protonated species formed in the preceding reaction step. The calculations were performed using the DFT/B3LYP/6-31G(d) method and the scanning procedure of the potential energy surface (PES). Both steps of route A turned out to be nearly barrierless, while in route B only its first step is barrierless and the second one is conjugated with passing an activation barrier of ∼45 kcal mol{sup –1} between non-interacting or weakly interacting reactants and electrophilic substitution products. Unlike the specifically solvated protonated species of 1H-tetrazole in an aqueous solution, a similar species of 2H-tetrazole does not form a prereaction complex with the attacking nucleophile (HO{sup –}(aq)) and the five-membered ring is destroyed in fact in the nitrogen-containing reaction product formed after passing the activation barrier. The optimized structure of the transition state differs strongly from the nitrogen-containing structure of the reaction product with the destroyed ring, which was found by scanning of the PES.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Process-level cost analysis of hybrid manufacturing pathways for aerospace structural components

Hybrid manufacturing is a promising route for producing complex aerospace components, yet systematic cost benchmarking across multiple additive-subtractive pathways remains limited. This study presents a comprehensive process-based cost analysis of seven hybrid manufacturing routes, including laser powder bed fusion (L-PBF), powder- and wire-directed energy deposition (DED), wire arc additive manufacturing (WAAM), additive friction stir deposition (AFSD), metal binder jetting (MBJ), and agility forging, followed by scanning and finish machining. Parametric cost models incorporating direct material, labor, and energy costs were developed. L-PBF results are discussed in detail for a pickle fork component and directly compared with commercial pricing. Across all hybrid routes, labor emerged as the dominant cost driver, contributing more than 70% of total manufacturing cost in some cases. AFSD exhibited the lowest cost for aluminum components, with MBJ being its 316 L stainless steel counterpart, after accounting for geometric scaling. Benchmarking against industrial quotes suggests that hybrid manufacturing can achieve cost levels comparable to those of commercial services, although labor-intensive processes exhibit greater deviation. The analysis highlights automation of material handling, setup, and supervision as key opportunities for improving economic competitiveness. Overall, the proposed framework provides a quantitative basis for evaluating and optimizing hybrid manufacturing pathways for aerospace applications.

Baruah, Sweta [ORNL] (ORCID:0009000174256207)↗
DOE OSTI2014

Nanostructured gadolinium-doped ceria microsphere synthesis from ion exchange resin: Multi-scale in-situ studies of solid solution formation

In the current nano-sized material revolution, the main limitations to a large-scale deployment of nanomaterials involve health concerns related to nano-dissemination via air. Developing new chemical routes benefiting from nano-size advantages while avoiding their hazards could overcome these limitations. Addressing this need, a chemical route leading to soft nano-particle agglomerates, i.e., macroscopic precursors presenting the ability to be decomposed into nano-sized materials, was developed and applied to Ce{sub 0.8}Gd{sub 0.2}O{sub 2−δ}. Using cerium/gadolinium-loaded ion exchange resin, the Ce{sub 0.8}Gd{sub 0.2}O{sub 2−δ} solid solution formation as a function of temperature was studied in-situ through X-ray diffraction, X-ray absorption spectroscopy and Raman spectroscopy. Temperatures corresponding to the organic skeleton decomposition and to the mixed oxide crystallization were identified. An optimal heat treatment, leading to nanostructured soft agglomerates, was established. Microsphere processing capabilities were evaluated and particle size distribution measurements were recorded. A very low fracture strength was calculated, and a nanometric particle size distribution (170 nm) was determined. - Graphical abstract: The elaboration of micro-spherical precursors leading to the formation of nano-oxide soft agglomerates was studied and approved through the use of ion exchange resin loaded with cerium and gadolinium. The formation of the solid solution was followed through in-situ measurements such as XAS, XRD, Raman, TGA and DSC. Key temperatures were identified for the formation of the mixed-oxide. Following this study, the microstructure and particle size of oxide microspheres formed highlight the formation of soft nano-arrangments. - Highlights: • Soft microspherical agglomerates able to be decomposed into nano-sized materials. • In situ study of cerium/gadolinium-loaded ion exchange resin conversion in oxide. • In situ multi-scale study through Raman spectroscopy, XAS and HT-XRD. • Monodisperse nanometric particle synthesis suitable for ceramic processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Tartan: Evaluating Modern GPU Interconnect via a Multi-GPU Benchmark Suite

In this paper, we fill the gap by proposing a multi-GPU benchmark suite named Tartan, which contains microbenchmarks, scale-up and scale-out applications. We then apply Tartan to evaluate the four latest types of modern GPU interconnects, i.e., PCI- e, NVLink-V1, NVLink-V2 and InfiniBand with GPUDirect- RDMA from two recently released NVIDIA super AI platforms as well as ORNL’s exascale prototype system. Based on empirical evaluation, we observe four new types of NUMA effects: three types are triggered by NVLink’s topology, connectivity and routing, while one type is caused by PCI-e (i.e., anti-locality). They are very important for performance tuning in multi-GPU environment. Our evaluation results show that, unless the current CPU-GPU master-slave programming model can be replaced, it is difficult for scale-up multi-GPU applications to really benefit from faster intra-node interconnects such as NVLinks; while for inter-node scale-out applications, although interconnect is more crucial to the overall performance, GPUDirect-RDMA appears to be not always the optimal choice.

HPC↗
DOE OSTI2022

GradientGraph

Under this SBIR Phase II, Reservoir Labs has developed G2 Analytics, a new technology that allows network operators to analyze bottleneck and flow performance with high precision. G2 delivers a new analytical approach and framework to resolve a variety of key problems found in modern communication networks, including: traffic engineering, routing, flow scheduling, network design, capacity planning, resiliency analysis, network slicing, or service level agreement (SLA) management, among others. G2 leverages the bottleneck structure of congestion-controlled communication networks, a recent mathematical discovery by the Reservoir team [RL19b, RL20a, RL20b, RL21a]. Bottleneck structures reveal how perturbations on flows and links propagate through the network, providing an analytical framework to measure (qualitatively and quantitatively) the ripple effects induced as they traverse the network. Leveraging the mathematics of bottleneck structures, Reservoir Labs is developing the G2 technology to provide network operators with a framework to design, optimize and troubleshoot network performance. This delivery includes the G2 software stack.

Yellamraju, Sruthi↗
DOE OSTI2026

Sparse Phase Ansatzes for Resource-Efficient Qudit State Preparation via the SNAP-Displacement Protocol

Efficient preparation of nonclassical bosonic states is a central requirement for quantum computing, simulation, and precision metrology. We study resource-efficient quantum state preparation in bosonic qudit systems using the SNAP-displacement (SD) protocol. Existing SD-based approaches typically require a large number of gates and SNAP phases, resulting in complex control pulses with longer ansatz durations and amplified impact of photon-loss and control errors. In this work, we focus on the near- to medium-term regime, in which noisy quantum devices impose trade-offs on the fidelity that can be achieved, which must be taken into account. Specifically, we propose to optimize only a subset of the SNAP phases and introduce three progressively more general sparse ansatzes. To provide fine-grained control and identify the most suitable ansatz for a given target fidelity, we further employ a scalarized multi-objective optimization that trades off fidelity against either the number of phases or the duration of the ansatz. Numerical results for several target states and qudit dimensions up to $d=64$, evaluated through the hypervolume of the Pareto frontiers, show that these sparse ansatzes achieve favorable trade-offs over the fully parameterized SD protocol in both ideal and noisy settings. The advantage is strongest and most consistent when minimizing the number of phases, while improvements in ansatz duration are smaller and more dependent on the target-state family and noise level, suggesting a practical route to more efficient near- and medium-term bosonic state preparation.

Ferrari Dacrema, Maurizio [Milan Polytechnic] (ORC↗
DOE OSTI2025

Towards large-scale quantum optimization solvers with few qubits

Quantum computers hold the promise of more efficient combinatorial optimization solvers, which could be game-changing for a broad range of applications. However, a bottleneck for materializing such advantages is that, in order to challenge classical algorithms in practice, mainstream approaches require a number of qubits prohibitively large for near-term hardware. Here we introduce a variational solver for MaxCut problems over $m={{\mathcal{O}}}({n}^{k})$ binary variables using only n qubits, with tunable k > 1. The number of parameters and circuit depth display mild linear and sublinear scalings in m , respectively. Moreover, we analytically prove that the specific qubit-efficient encoding brings in a super-polynomial mitigation of barren plateaus as a built-in feature. Altogether, this leads to high quantum-solver performances. For instance, for m = 7000, numerical simulations produce solutions competitive in quality with state-of-the-art classical solvers. In turn, for m = 2000, experiments with n = 17 trapped-ion qubits feature MaxCut approximation ratios estimated to be beyond the hardness threshold 0.941. Our findings offer an interesting heuristics for quantum-inspired solvers as well as a promising route towards solving commercially-relevant problems on near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗