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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Conditions of coherent-phonon excitation in SrMnSb2 films and crystals

Excitation of coherent phonons has the potential to dramatically alter the electronic structure of Dirac and Weyl semimetals, enabling sub-picosecond control of their optical and electronic properties. The Dirac semimetal SrMnSb2 is a candidate for such control, with a coherent-phonon mode that is predicted to close and reopen a gap at the Dirac node. Here, through a series of ultrafast pump-probe experiments, we establish suitable samples and conditions for driving the coherent phonon to high amplitude and attempting to observe the gap’s closure. Films of SrMnSb2 grown by molecular-beam epitaxy are shown to have phononic properties matching those of bulk crystals. We find that the phonon can be strongly excited by pump pulses with wavelength near 1500 nm, which will excite a 30-nm film almost uniformly and will penetrate the arsenic capping layers that protect the films. We find that samples withstand pump pulses of fluence up to 20 mJ/cm2, and we demonstrate the potential for sequences of pulses to amplify the oscillation while suppressing other phonon modes. Armed with our new knowledge of the conditions for exciting the desired coherent phonon, future experiments will be well prepared to measure its motion and to observe phononic control of the Dirac-point gap.

Rai, Manita↗
DOE OSTI2024

Inactivation of highly transmissible livestock and avian viruses including influenza A and Newcastle disease virus for molecular diagnostics

There is a critical need for an inactivation method that completely inactivates pathogens at the time of sample collection while maintaining the nucleic acid quality required for diagnostic PCR testing. This inactivation method is required to alleviate concerns about transmission potential, minimize shipping complications and cost, and enable testing in lower containment laboratories, thereby enhancing disease diagnostics through improved turn-around time. This study evaluated a panel of 10 surrogate viruses that represent highly pathogenic animal diseases. These results showed that a commercial PrimeStore® molecular transport media (PSMTM) completely inactivated all viruses tested by >99.99%, as determined by infectivity and serial passage assays. However, the detection of viral nucleic acid by qRT-PCR was comparable in PSMTM and control-treated conditions. These results were consistent when viruses were evaluated in the presence of biological material such as sera and cloacal swabs to mimic diagnostic sample conditions for non-avian and avian viruses, respectively. The results of this study may be utilized by diagnostic testing laboratories for highly pathogenic agents affecting animal and human populations. These results may be used to revise guidance for select agent diagnostic testing and the shipment of infectious substances.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Laser-induced selective local patterning of vanadium oxide phases

The same elements can form different compounds with widely different physical properties. Synthesis of a single-phase material is commonly achieved by controlling experimental conditions. Synthesizing materials that incorporate multiple specific spatially distributed chemical phases is often challenging, especially if different phases must be organized into well-defined spatial patterns. Here, we present an efficient solid reaction laser annealing (SRLA) approach to directly write regions of different local chemical compositions. We demonstrate the practical utility of our approach by locally writing microscale patterns of distinct chemical phases in vanadium oxide thin films. Specifically, we achieved the controlled local recrystallization of a uniform V 2 O 3 matrix into VO 2 , V 3 O 5 , and V 4 O 7 regions exhibiting sharp 1st- and 2nd-order metal–insulator phase transitions over a wide range of critical temperatures, i.e., a characteristic feature of select vanadium oxides that is extremely sensitive to even minute structural or compositional imperfections. We utilized the local chemical phase writing to pattern spiking oscillators with distinct electrical behavior directly in the thin film sample without employing elaborate lithography fabrication. Our laser tuning local chemical composition opens a pathway to synthesize a wide range of artificially micropatterned composite materials, with precision and control unattainable in conventional material synthesis methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The ReSWARM microgravity flight experiments: Planning, control, and model estimation for on‐orbit close proximity operations

Abstract On‐orbit close proximity operations involve robotic spacecraft maneuvering and making decisions for a growing number of mission scenarios demanding autonomy, including on‐orbit assembly, repair, and astronaut assistance. Of these scenarios, on‐orbit assembly is an enabling technology that will allow large space structures to be built in situ, using smaller building block modules. However, like many of these scenarios, robotic on‐orbit assembly involves several technical hurdles, such as changing system models. For instance, grappled modules moved by a free‐flying “assembler” robot can cause significant changes in the combined system inertia, which have cascading impacts on motion planning and control portions of the autonomy stack. Further, on‐orbit assembly and other scenarios require collision‐avoiding motion planning, particularly when operating in a “construction site” scenario of multiple assembler robots and structures. Multiple key technologies that address these complicating factors for autonomous microgravity close proximity operations are detailed in this work, in particular: (1) application of global long‐horizon planning, accomplished using offline and online sampling‐based planner options that consider the system dynamics; (2) adaptation of the recently proposed RATTLE information‐aware planning framework for on‐orbit reconfiguration model learning; and (3) connection with robust control tools to provide low‐level control robustness using current system knowledge. These approaches were demonstrated for an autonomous on‐orbit assembly use case by the RElative Satellite sWarming and Robotic Maneuvering (ReSWARM) experiments using NASA's Astrobee robots on the International Space Station. Results of the ReSWARM experiments are provided along with significant operational and implementation detail discussing the practicalities of hardware implementation and unique aspects of working with the Astrobee free‐flyer robots in microgravity. ReSWARM provides a base set of planning and control tools for robotic close proximity operations, demonstrates them in microgravity, and outlines some of the important hardware aspects that future autonomous free‐flyers will need to consider.

Robotics↗
DOE OSTI2021

Consumable development to tailor residual stress in parts fabricated using directed energy deposition processes

Distortion and residual stresses are major challenges that limit the ability to fabricate large scale structures using Additive Manufacturing (AM). Researchers worldwide are evaluating techniques to induce compressive residual stress in the parts via intermittent rolling. While reasonable success has been documented, the idea of lowering the martensite start temperature to induce compressive stresses has not been evaluated in the context of AM, despite demonstrated success by the welding community. This study validates the hypothesis that, by a proper selection of materials and process parameters, one may effectively reduce distortion and induce a compressive residual stress in AM parts. Using neutron diffraction to measure residual stresses in parts, we demonstrate that, in addition to selection of the correct materials, the inter pass temperature plays a major role in controlling the residual stress evolution. The observations relating to the residual stresses are rationalized based on a microstructural evolution in these samples. Based on this preliminary study, a strategy to fabricate large structures with minimal distortion and residual stress is outlined.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Cation uptake by fine aggregate in hardened cement mortar and its effect on electrical properties

Electrical resistivity tests can be used to evaluate the transport properties of concrete and provide a durability assessment. However, the electrical resistivity is largely dependent on the pore solution composition and recent work suggests that some aggregates have the capacity for cation uptake. This study first aims to provide further evidence for adsorption of cations on aggregate surfaces, without formation of reaction products (e.g. alkali-silica reaction). Secondly, hardened mortar samples were prepared using a fine aggregate with a high alkali affinity and a non-reactive fine aggregate as a control. The electrical resistivity of mortars was measured, and the pore solution of these mortars was obtained through high-pressure extraction. The effect of aggregate moisture dilution on the pore solution was decoupled by using a pore partitioning model. The results indicate that aggregate minerology can influence the pore solution composition through cation uptake. Specific minerals of minor quantity, like biotite, may be responsible for cation exchange. While adsorbed cations strongly affected pore solution and formation factor measurement, the bulk resistivity measurements on hardened mortar were only marginally influenced. Research on other implications of similar aggregate interactions with pore solutions are an intriguing area for future research.

Alkali-aggregate reaction↗
DOE OSTI2022

Sink or source? Insights into the behavior of copper and zinc in the sediment porewater of a constructed wetland by peepers

The H-02 free water surface constructed wetland has been applied to remove heavy metals, mainly copper (Cu) and zinc (Zn), from wastewater on the Savannah River Site (Aiken, SC, USA). More and more studies focus on the metal behavior between the sediment and the overlying water, which directly reflects the stability of metals after sedimentation in constructed wetlands. This study focused on the biogeochemical pathways in metal bioavailability and remobilization in the sediment after metals were removed from the overlying water. The dialysis sampling devices (peepers) were used to collect porewater samples from eight depths in the sediment for the measurement of Cu, Zn, dissolved organic carbon (DOC), and major anions (sulfate and chloride). Surface water samples were also collected for the measurement of Cu, Zn, DOC, and anions. Different temporal trends were observed for dissolved Cu between the surface and bottom waters, but not for dissolved Zn. There were no obvious changes in porewater metal concentrations with increasing depths in the sediment. Sediment served as a sink for Cu as only 3% of porewater samples showed higher labile Cu concentrations than the surface water during the entire year. Furthermore, sediment served as a source for Zn in summer and winter as 32% of porewater samples showed higher labile Zn concentrations than the surface water, and these samples were collected at all sediment depths. We think the seasonal changes in the behaviors of Cu and Zn were primarily controlled by the sulfur dynamics and the metal removal processes in the constructed wetland, as well as the different complexing chemistry between Cu and Zn. Also, our study supports that peeper is a powerful tool for studying the biogeochemistry of metals in the sediment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Trajectory design via unsupervised probabilistic learning on optimal manifolds

Abstract This article illustrates the use of unsupervised probabilistic learning techniques for the analysis of planetary reentry trajectories. A three-degree-of-freedom model was employed to generate optimal trajectories that comprise the training datasets. The algorithm first extracts the intrinsic structure in the data via a diffusion map approach. We find that data resides on manifolds of much lower dimensionality compared to the high-dimensional state space that describes each trajectory. Using the diffusion coordinates on the graph of training samples, the probabilistic framework subsequently augments the original data with samples that are statistically consistent with the original set. The augmented samples are then used to construct conditional statistics that are ultimately assembled in a path planning algorithm. In this framework, the controls are determined stage by stage during the flight to adapt to changing mission objectives in real-time.

42 ENGINEERING↗
DOE OSTI2020

Understanding Reactivities of Ni-rich Li[NixMnyCo1-x-y]O2 Single-Crystal Cathode Materials

While Ni-rich Li[NixMnyCo1-x-y]O2 (NMC, x ? 0.8) compounds are considered the most promising cathode materials for high-energy lithium-ion batteries (LIBs), a significant challenge is the higher reactivities caused by the increased Ni content, especially under high-voltage operation conditions. In the present study, we synthesize three single-crystal NMC (SC-NMC) samples with the same particle size and morphology: LiNi0.8Mn0.1Co0.1O2 (NMC811), LiNi0.80Mn0.15Co0.05O2 (NMC80155) and LiNi0.85Mn0.10Co0.05O2 (NMC85105). By systematically varying the composition while controlling other properties, the role of each transition metal during air exposure, thermal treatment and long-term cycling is clearly demonstrated. We reveal that while higher Ni content leads to an overall increased reactivities, the presence of Mn provides a stabilizing effect on thermal, structural and chemical properties. In the absence of cycling-induced particle cracking, surface reconstruction is shown to be the dominating contributor to cathode capacity fade. Our study provides key insights needed for the development of better-performing Ni-rich NMC cathode materials.

Kim, Minkyung↗
DOE OSTI2022

Evolution of micro-pores in Ni–Cr alloys via molten salt dealloying

Porous materials with high specific surface area, high porosity, and high electrical conductivity are promising materials for functional applications, including catalysis, sensing, and energy storage. Molten salt dealloying was recently demonstrated in microwires as an alternative method to fabricate porous structures. The method takes advantage of the selective dissolution process introduced by impurities often observed in molten salt corrosion. This work further investigates molten salt dealloying in bulk Ni–20Cr alloy in both KCl–MgCl 2 and KCl–NaCl salts at 700 °C, using scanning electron microscopy, energy dispersive spectroscopy, and X-ray diffraction (XRD), as well as synchrotron X-ray nano-tomography. Micro-sized pores with irregular shapes and sizes ranging from sub-micron to several microns and ligaments formed during the process, while the molten salt dealloying was found to progress several microns into the bulk materials within 1–16 h, a relatively short reaction time, enhancing the practicality of using the method for synthesis. The ligament size increased from ~ 0.7 μm to ~ 1.3 μm in KCl–MgCl 2 from 1 to 16 h due to coarsening, while remaining ~ 0.4 μm in KCl–NaCl during 16 h of exposure. The XRD analysis shows that the corrosion occurred primarily near the surface of the bulk sample, and Cr 2 O 3 was identified as a corrosion product when the reaction was conducted in an air environment (controlled amount sealed in capillaries); thus surface oxides are likely to slow the morphological coarsening rate by hindering the surface diffusion in the dealloyed structure. 3D-connected pores and grain boundary corrosion were visualized by synchrotron X-ray nano-tomography. This study provides insights into the morphological and chemical evolution of molten salt dealloying in bulk materials, with a connection to molten salt corrosion concerns in the design of next-generation nuclear and solar energy power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Hydrological controls of a riparian wetland based on stable isotope data and model simulations

Isotopic evidence of groundwater and stream water is frequently used to investigate water exchanges with groundwater. Monthly sampling of rain, stream water, and groundwater was conducted at Tims Branch watershed in South Carolina for the oxygen and hydrogen stable isotope (δ 2 H and δ 18 O) measurement, as well as pH and oxidation–reduction potential (ORP). Together with a mass balance perspective, it was determined that it takes a few weeks to one month for groundwater in the hyporheic zone to fully exchange with stream water. From hydrodynamic modelling, we show that substantial (up to 70 %) groundwater exchange occurs at gaining and losing sites. Groundwater exfiltration, i.e. inflow into stream water, contributes up to 4 % to stream water, with the remainder from upstream exfiltration. A 2–4 % per day renewal rate of adjacent groundwater would indirectly indicate a groundwater residence time in the order of half a month to a full month (assuming either a well-mixed case or large dispersion rate in pulse flow case), in agreement with a greatly reduced variability of δ 2 H and δ 18 O of groundwater compared to stream water and rain. This reduced variability of stable isotope signal from groundwater confirms our hypothesis that riparian groundwater mixing at Tims Branch is more of a mixed type rather than a pulse flow type. As a result, a monthly time scale is sufficient for groundwater to become anoxic at exit points into stream water resulting in the episodic production of natural organic matter- and iron-rich flocs upon oxidation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Interface-sensitive microwave loss in superconducting tantalum films sputtered on c-plane sapphire

Quantum coherence in superconducting circuits has increased steadily over the last decades because of a growing understanding of the various loss mechanisms. Recently, tantalum (Ta) emerged as a promising material to address microscopic sources of loss found on niobium (Nb) or aluminum (Al) surfaces. However, the effects of film and interface microstructure on low-temperature microwave loss are still not well understood. Here, in this study, we present a systematic study of the structural and electrical properties of Ta and Nb films sputtered on c-plane sapphire at varying growth temperatures. As growth temperature was increased, our results show that the onset of epitaxial growth of α -phase Ta correlates with lower Ta surface roughness, higher critical temperature, and higher residual resistivity ratio, but surprisingly also correlates with a significant increase in loss at microwave frequency. Notably, this high level of loss is not observed in Nb films prepared in the same way and having very similar structure. By experimentally controlling the surface on which the Ta film is nucleated, we determine that the source of loss was only present in samples having an epitaxial Ta/sapphire interface and show that it was apparently mitigated by either growing a thin, epitaxial Nb interlayer between the Ta film and the substrate or by intentionally treating, and effectively damaging, the sapphire surface with an in situ argon plasma before Ta growth. In addition to elucidating this interfacial microwave loss, this work provides adequate process details to aid reproducible growth of low-loss Ta films across fabrication facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

SDN-Based Smart Cyber Switching (SCS) for Cyber Restoration of a Digital Substation

In recent years, critical infrastructure and power grids have increasingly been targets of cyber-attacks, causing widespread and extended blackouts. Digital substations are particularly vulnerable to such cyber incursions, jeopardizing grid stability. This paper addresses these risks by proposing a cybersecurity framework that leverages software-defined networking (SDN) to bolster the resilience of substations based on the IEC- 61850 standard. The research introduces a strategy involving smart cyber switching (SCS) for mitigation and concurrent intelligent electronic device (CIED) for restoration, ensuring ongoing operational integrity and cybersecurity within a substation. The SCS framework improves the physical network’s behavior (i.e., leveraging commercial SDN capabilities) by incorporating an adaptive port controller (APC) module for dynamic port management and an intrusion detection system (IDS) to detect and counteract malicious IEC-61850-based sampled value (SV) and generic object-oriented system event (GOOSE) messages within the substation’s communication network. The framework’s effectiveness is validated through comprehensive simulations and a hardware-in-the-loop (HIL) testbed, demonstrating its ability to sustain substation operations during cyber-attacks and significantly improve the overall resilience of the power grid.

Liu, Chen-Ching (ORCID:0000000289417958)↗
DOE OSTI2023

Preparation and Characterization Methods of Thin Layer Samples for Standoff Detection

Detection of analytes deposited on surfaces is crucial for many applications: Development of methods to prepare thin layers (e.g. ~5 to 100 µm) is important for both system design and field studies. In this work, solid and liquid analytes were deposited on painted and bare substrates including aluminum, glass, plastic, and concrete using an ExactaCoat ultrasonic spray coater. Laboratory hemispherical reflectance (HRF) spectra were collected for samples with different layer thicknesses so as to characterize both the composition and layer thickness. Preliminary results demonstrate that to prepare homogenous layers on surfaces, parameters such as substrate type, analyte solubility, vapor pressure, paint color, surface porosity, and surface roughness are all important. Liquid chemicals posed several issues during deposition: Diisopropyl methyl phosphonate evaporated from surfaces more quickly than the other chemicals and was thus not detected in the HRF experiments. Less volatile liquids, such as tributylphosphate, remained on the surface for the duration of the test, but a uniform layer thickness could not be obtained as the liquid pooled to one side when mounted at an angle. The deposition of solids (e.g., acetaminophen, caffeine and methylphosphonic acid) from volatile solvents such as chloroform also proved problematic due to streaking caused by rapid solvent evaporation. Solids deposited from ethanol, however, worked well on bare substrates. For most samples plotting the integrated infrared band strength vs. surface thicknesses showed a linear relationship, confirming that the surface loading can be controlled by programming the concentration and the number of passes on the ultrasonic sprayer.

Thin layer, deposition, infrared standoff, Hemisph↗
DOE OSTI2025

CV4Quantum

CV4Quantum is a statistical technique for reducing the sampling overhead in probabilistic error cancellation, which is an error mitigation technique used in quantum computing. CV4Quantum is based on the control variates method, which is a Monte Carlo variance reduction technique. This repository contains the code and data associated with a demonstration of CV4Quantum using simulation experiments.

Shyamsundar, Prasanth [Fermi National Accelerator ↗
DOE OSTI2026

ML-AMD/exa-pd

Exa-pd is a highly parallelizable workflow for constructing multi-element phase diagrams (PDs). It uses standard sampling techniques—molecular dynamics (MD) and Monte Carlo (MC)—as implemented in the LAMMPS package, to simultaneously sample multiple phases on a fine temperature–composition mesh for free-energy calculations. The workflow uses Parsl as a global controller to manage the MD/MC jobs to achieve massive parallelization with almost ideal scalability. The resulting free energies of both liquid and solid phases (including solid solutions) are then fed to CALPHAD modeling using the PYCALPHAD package for the construction of a multi-element PD.

Zhang, Feng [Ames Laboratory (AMES), Ames, IA (Uni↗
DOE OSTI2023

Longitudinal Changes in Immune Activation Serum Biomarkers Prior to Diagnosis and Risk of B-cell NHL Subtypes

To examine the contribution of B-cell activation molecules to B-cell follicular lymphoma (FL) and diffuse large B-cell lymphoma (DLBCL), a prospective study was conducted using pre-diagnosis serial serum samples from the US Department of Defense Serum Repository. Each case (n = 142 FL, n = 211 DLBCL) was matched to two controls on age, gender, race, military branch, and blood collection dates. Immune activation molecules (IL1β, IL2, IL4, IL5, IL6, IL10, IL12, CXCL13, IL8, TNFα, IFNγ, GM-CSF, VEGF, sCD30, IgE) were quantified using ELISA or multiplex immunometric (Luminex) assay. Longitudinal data were analyzed using linear mixed modeling. As serial specimens were collected over several years before diagnosis, we evaluated the temporal dynamics of these markers. Increased serum levels of sCD30, CXCL13, and to a lesser extent IL10, were associated with both FL and DLBCL in cases compared with controls, with a median follow-up of 5.5 years from the earliest specimen collection to diagnosis date. Significant increasing sCD30 and CXCL13 trajectories for FL and DLBCL subtypes were noted starting at the earliest time points and with IL10 levels increasing significantly at time points closer to diagnosis. In conclusion, these results suggest that sCD30, CXCL13, and IL10 may contribute to the etiology of FL and DLBCL and are potential biomarkers for these non–Hodgkin lymphoma subtypes. The increasing trajectories of the B-cell activation molecules, sCD30, CXCL13, and to a lesser extent IL10, may indicate early disease-induced effects or reflect the chronic stimulation of B-cells that promotes the development of FL and DLBCL subtypes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Latent Dirichlet Allocation modeling of environmental microbiomes

Interactions between stressed organisms and their microbiome environments may provide new routes for understanding and controlling biological systems. However, microbiomes are a form of high-dimensional data, with thousands of taxa present in any given sample, which makes untangling the interaction between an organism and its microbial environment a challenge. Here we apply Latent Dirichlet Allocation (LDA), a technique for language modeling, which decomposes the microbial communities into a set of topics (non-mutually-exclusive sub-communities) that compactly represent the distribution of full communities. LDA provides a lens into the microbiome at broad and fine-grained taxonomic levels, which we show on two datasets. In the first dataset, from the literature, we show how LDA topics succinctly recapitulate many results from a previous study on diseased coral species. We then apply LDA to a new dataset of maize soil microbiomes under drought, and find a large number of significant associations between the microbiome topics and plant traits as well as associations between the microbiome and the experimental factors, e.g. watering level. This yields new information on the plant-microbial interactions in maize and shows that LDA technique is useful for studying the coupling between microbiomes and stressed organisms.

59 BASIC BIOLOGICAL SCIENCES↗