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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 OSTI2026

Measuring pH Changes Inside a Bipolar Membrane Junction

Here, the local pH environment within bipolar membrane (BPM) junctions is complex and not well understood, yet it is important to control for advancing the performance of BPM-based electrochemical systems. We report a voltammetric strategy using an ultrathin Ni mesh pH probe to spatially resolve pH changes in the BPM junction during model BPM electrolyzer operation. Under reverse bias, we observe depletion of OH – at the anion-exchange layer (AEL) interface, with a degree diminishing with increasing distance from the AEL. These gradients correlate with current-dependent water dissociation (WD) and are modulated by the electric field and the surface charge state of the catalyst. By correlating spatial pH profiles with the surface-charging behavior of WD catalysts, we explore a mechanism of catalyst-mediated H + and OH – transfer facilitated by hydrogen-bonding networks. These findings highlight the role of local chemistry and electrostatics in BPM performance and offer new methods to probe and engineer catalytic junctions in electrochemical energy devices.

Hou, Shujin [University of California, Berkeley, C↗
DOE OSTI2023

Ferroelectricity in hafnia controlled via surface electrochemical state

Ferroelectricity in binary oxides including hafnia and zirconia has riveted the attention of the scientific community due to the highly unconventional physical mechanisms and the potential for the integration of these materials into semiconductor workflows. Over the last decade, it has been argued that behaviours such as wake-up phenomena and an extreme sensitivity to electrode and processing conditions suggest that ferroelectricity in these materials is strongly influenced by other factors, including electrochemical boundary conditions and strain. Here we argue that the properties of these materials emerge due to the interplay between the bulk competition between ferroelectric and structural instabilities, similar to that in classical antiferroelectrics, coupled with non-local screening mediated by the finite density of states at surfaces and internal interfaces. Via the decoupling of electrochemical and electrostatic controls, realized via environmental and ultra-high vacuum piezoresponse force microscopy, we show that these materials demonstrate a rich spectrum of ferroic behaviours including partial-pressure-induced and temperature-induced transitions between ferroelectric and antiferroelectric behaviours. In conclusion, these behaviours are consistent with an antiferroionic model and suggest strategies for hafnia-based device optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Two-Stage Reinforcement Learning Policy Search for Grid-Interactive Building Control

This paper develops an intelligent grid-interactive building controller, which optimizes building operation during both normal hours and demand response (DR) events. To avoid costly on-demand computation and to adapt to non-linear building models, the controller utilizes reinforcement learning (RL) and makes real-time decisions based on a near-optimal control policy. Learning such a policy typically amounts to solving a hard non-convex optimization problem. We propose to address this problem with a novel global-local policy search method. In the first stage, an RL algorithm based on zero-order gradient estimation is leveraged to search for the optimal policy globally, due to its scalability and the potential to escape some poor performing local optima. The obtained policy is then fine-tuned locally to bring the first-stage solution closer to that of the original unsmoothed problem. Experiments on a simulated five-zone commercial building demonstrate the advantages of the proposed method over existing learning approaches. They also show that the learned control policy outperforms a pragmatic linear model predictive controller (MPC) and approaches the performance of an oracle MPC in testing scenarios. Using a state-of-the-art advanced computing system, we demonstrate that the controller can be learned and deployed within hours of training.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Geometrical control of topological charge transfer in Shakti-Cairo colloidal ice

Lattice transformations that preserve the system topology, but not its geometry, are common in condensed matter systems. However, how geometric constrains influence the topological properties of the lattices is still unclear. Here we show that a geometric transformation between two mixed coordination lattices, from Shakti to Cairo in an artificial colloidal ice, leads to a breakdown of the ice rule in all but one specific geometry. We observe a transfer of topological charge among sublattices which can be controlled in sign and intensity, vanishing at the ice-rule point. These unusual topological effects are absent in magnetic spin ices and they are due to collective, non-local geometric frustration in the particle ice. By merging numerical simulations, theory and experiments, we demonstrate how the charge transfer occurs in the Cairo geometry. The broader implication of our results is that we demonstrate how geometric constraints can control the topological properties of a mesoscopic colloidal system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Creep deformation and cavitation in an additively manufactured Al-8.6Cu-0.4Mn-0.9Zr (wt%) alloy

Creep deformation and cavitation were investigated at 300 ºC in both tension and compression for an additively manufactured Al-8.6Cu-0.5Mn-0.9Zr (wt%) alloy in the as-fabricated state and after various aging treatments (aging at 300 °C/200 h or 350 °C/24 h and overaging at 400 °C/200 h). Creep mechanisms at 300 °C were determined by relating the measured creep response to corresponding microstructural and X-ray computed tomography observations. In compression, alloys in the as-fabricated and two aging conditions exhibited similarly high creep resistance. Overaging (400 °C/200 h) led to substantial coarsening of intragranular θ-Al2Cu precipitates and an expected drop in their Orowan strengthening contribution. In tension, minimum strain rates comparable to those in compression were obtained at any given stress; however, upon accumulation of some plastic strain in the matrix, creep cavities started to form, leading to accelerated tertiary stage creep deformation and rupture. Cavitation occurred exclusively along melt pool boundaries due to locally enhanced diffusion enabled by (i) large grain-boundary area in adjacent fine-grained zones and (ii) localization of creep strain in nearby heat-affected zones. Although cavity growth was initially diffusion-controlled, its rate was determined by matrix creep rate, consistent with constrained cavity growth mechanisms. This study reveals how microstructural complexities induced by the additive manufacturing process affect the creep and cavitation behavior of Al-Cu-Mn-Zr alloys. The underlying creep and cavitation mechanisms uncovered in this study point to pathways that improve the high-temperature properties of additively manufactured alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nuclear—thermal energy storage configurations for industrial combined heat and power supply—conceptual and thermodynamic study with high temperature gas-cooled reactor

Nuclear systems are promising candidates for delivering resilient heat and power for future energy security and independence. Traditionally, nuclear plants have been used for baseload electricity production and cogeneration of heat has seen relatively limited application utilizing typically only small portion of a reactor's thermal output. This paradigm may shift due to the increasing penetration of intermittent renewables and need for resource flexibility, various decarbonization efforts aimed at both electricity and heat demands, along with the perspective of small modular nuclear reactor applications, which can be sized based on local industrial needs. Here, this study provides a comprehensive guide for the nuclear and industrial sectors, emphasizing controllability in the combined heat and power configuration options for high temperature gas-cooled reactor and process steam supply. It investigates the integration of thermal energy storage to improve nuclear energy's responsiveness to varying industrial demands. The study emphasizes placing thermal energy storage between the nuclear primary loop and steam cycle to achieve greater efficiency and flexibility in power and heat output, surpassing traditional combined heat and power systems and avoiding efficiency losses seen in other thermal energy storage integration approaches.

combined heat and power (CHP)↗
DOE OSTI2021

Combination of Radiation Therapy and Short-Term Androgen Blockade With Abiraterone Acetate Plus Prednisone for Men With High- and Intermediate-Risk Localized Prostate Cancer

Long-term androgen-deprivation therapy (ADT) is the standard of care in combination with radiation therapy (RT) in high-risk prostate cancer (PC), despite substantial toxicity from the resulting hypogonadism. We hypothesized that a combination of more potent but shorter-term androgen inhibition in men with intermediate- or high-risk localized PC would synergize with definitive RT to provide short-term testosterone recovery and improve disease control.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Experimental demonstration and modeling of a robotic neutron detector with spectral and directional sensitivity for treaty verification

International safeguards and arms control agreements often require labor-intensive, intrusive onsite inspections to perform verification tasks. The ability to localize a neutron source and/or characterize a neutron field may be imperative for identifying anomalies. We are interested in the role of autonomous mobile robots, which, if designed properly, may be more effective and efficient and less intrusive than their human counterparts. Toward developing such a capability, we, for this study, have constructed the N-SpecDir Bot, comprised of three boron-coated straw detectors azimuthally-distributed within a cylinder of high-density polyethylene, which is mounted on an omni-directional robotic platform. Our N-SpecDir Bot is specifically designed to provide spectral and directional sensitivity, in addition to gross counts, by utilizing the signals from the three detectors. The detection system has been extensively characterized by MCNP modeling, which has been benchmarked to experiments conducted at the Princeton Plasma Physics Laboratory. We demonstrate the spectral and directional sensitivity experimentally and in simulation, and provide a simple yet robust method for directional measurements.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Can Common Pool Resource Theory Catalyze Stakeholder-Driven Solutions to the Freshwater Salinization Syndrome?

Freshwater salinity is rising across many regions of the United States as well as globally, a phenomenon called the freshwater salinization syndrome (FSS). The FSS mobilizes organic carbon, nutrients, heavy metals, and other contaminants sequestered in soils and freshwater sediments, alters the structures and functions of soils, streams, and riparian ecosystems, threatens drinking water supplies, and undermines progress toward many of the United Nations Sustainable Development Goals. There is an urgent need to leverage the current understanding of salinization’s causes and consequences–in partnership with engineers, social scientists, policymakers, and other stakeholders–into locally tailored approaches for balancing our nation’s salt budget. In this feature, we propose that the FSS can be understood as a common pool resource problem and explore Nobel Laureate Elinor Ostrom’s social-ecological systems framework as an approach for identifying the conditions under which local actors may work collectively to manage the FSS in the absence of top-down regulatory controls. We adopt as a case study rising sodium concentrations in the Occoquan Reservoir, a critical water supply for up to one million residents in Northern Virginia (USA), to illustrate emerging impacts, underlying causes, possible solutions, and critical research needs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Role of Local Conductivities in the Plasmon Reflections at the Edges and Stacking Domain Boundaries of Trilayer Graphene

Here, we employed infrared scattering-type scanning near-field optical microscopy (IR-sSNOM) to study surface plasmon polaritons (SPPs) in trilayer graphene (TLG). Our study reveals systematic differences in near-field IR spectra and SPP wavelengths between Bernal (ABA) and rhombohedral (ABC) TLG domains on SiO 2 , which can be explained by stacking-dependent intraband conductivities. We also observed that the SPP reflection profiles at ABA-ABC boundaries could be mostly accounted for by an idealized domain boundary defined by the conductivity discontinuity. However, we identified distinct shapes in the SPP profiles at the edges of the ABA and ABC TLG, which cannot be solely attributed to idealized edges with stacking-dependent conductivities. Instead, this can be explained by the presence of various edge structures with local conductivities differing from those of bulk TLGs. Our findings unveil a new structural element that can control SPP and provide insights into the structures and electronic states of the edges of few-layer graphene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Size and Structure Effects of Carbon-Supported Ruthenium Nanoparticles on Waste Polypropylene Hydrogenolysis Activity, Selectivity, and Product Microstructure

Hydrogenolysis of plastic waste using Ru-based catalysts is promising for deconstructing polyolefins into lower molecular weight products. Yet, the effect of catalyst atomic structure and size on activity and product selectivity is poorly understood. Herein, we expose the effect of metal particle size and atomic structure on isotactic-polypropylene (i-PP) hydrogenolysis over Ru supported on carbon. Despite similar molecular weight distributions of solid and liquid products, their physical properties are distinct due to different chain regio-irregular CH3 sequences of steric pentads containing racemo configurations. We propose that i-PP hydrogenolysis entails an interplay of C–C bond scission and stereoisomerization. The active site’s local electronic environment and structure dictate the former, whereas polymer–catalyst surface interactions creating suitable polymer conformations control the latter. C–C scission and stereoisomerization are structure-sensitive. Small, disordered nanoclusters are effective in C–C bond scission, whereas larger metal nanoparticles promote stereoisomerization. Finally, we hypothesize that a heterogeneous distribution of metal active sites is essential for deconstruction and product (lubricant base oil) quality control.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Building workflows for an interactive human-in-the-loop automated experiment (hAE) in STEM-EELS

Exploring the structural, chemical, and physical properties of matter on the nano- and atomic scales has become possible with the recent advances in aberration-corrected electron energy-loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM). However, the current paradigm of STEM-EELS relies on the classical rectangular grid sampling, in which all surface regions are assumed to be of equal a priori interest. However, this is typically not the case for real-world scenarios, where phenomena of interest are concentrated in a small number of spatial locations, such as interfaces, structural and topological defects, and multi-phase inclusions. One of the foundational problems is the discovery of nanometer- or atomic-scale structures having specific signatures in EELS spectra. Herein, we systematically explore the hyperparameters controlling deep kernel learning (DKL) discovery workflows for STEM-EELS and identify the role of the local structural descriptors and acquisition functions in experiment progression. In agreement with the actual experiment, we observe that for certain parameter combinations the experiment path can be trapped in the local minima. We demonstrate the approaches for monitoring the automated experiment in the real and feature space of the system and knowledge acquisition of the DKL model. Based on these, we construct intervention strategies defining the human-in-the-loop automated experiment (hAE). This approach can be further extended to other techniques including 4D STEM and other forms of spectroscopic imaging. The hAE library is available on Github at https://github.com/utkarshp1161/hAE/tree/main/hAE.

Pratiush, Utkarsh [Univ. of Tennessee, Knoxville, ↗
DOE OSTI2023

Causal interaction in high frequency turbulence at the biosphere–atmosphere interface: Structure–function coupling

At the biosphere–atmosphere interface, nonlinear interdependencies among components of an ecohydrological complex system can be inferred using multivariate high frequency time series observations. Information flow among these interacting variables allows us to represent the causal dependencies in the form of a directed acyclic graph (DAG). Here, we use high frequency multivariate data at 10 Hz from an eddy covariance instrument located at 25 m above agricultural land in the Midwestern US to quantify the evolutionary dynamics of this complex system using a sequence of DAGs by examining the structural dependency of information flow and the associated functional response. We investigate whether functional differences correspond to structural differences or if there are no functional variations despite the structural differences. We base our analysis on the hypothesis that causal dependencies are instigated through information flow, and the resulting interactions sustain the dynamics and its functionality. To test our hypothesis, we build upon causal structure analysis in the companion paper to characterize the information flow in similarly clustered DAGs from 3-min non-overlapping contiguous windows in the observational data. We characterize functionality as the nature of interactions as discerned through redundant, unique, and synergistic components of information flow. Through this analysis, we find that in turbulence at the biosphere–atmosphere interface, the variables that control the dynamic character of the atmosphere as well as the thermodynamics are driven by non-local conditions, while the scalar transport associated with CO and H 2 O is mainly driven by short-term local conditions.

58 GEOSCIENCES↗
DOE OSTI2021

Two-color x-ray free-electron laser by photocathode laser emittance spoiler

Multispectral x-ray pump-probe experiments call for synchronized two-color free-electron lasers (FEL). This mode often implies a laborious setup or an inefficient use of the undulator. We report on a simple and noninvasive approach tested at SwissFEL for a two-color x-ray delivering almost 60% of the pulse energy compared with a single color. In this new method, a ps UV pulse is overlapped to the photocathode drive laser increasing the beam emittance, which locally inhibits the FEL process. This scheme permits high-stability in energy and spectrum and the control of the two-color duration and intensity ratio. It enables shot-to-shot switching between one and two-color FEL and, since not associate to beam losses, it is compatible with high repetition-rate and high average-power FELs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Topological and symmetry-enriched random quantum critical points

In this work, we study how symmetry can enrich strong-randomness quantum critical points and phases, and lead to robust topological edge modes coexisting with critical bulk fluctuations. These are the disordered analogs of gapless topological phases. Using real-space and density matrix renormalization group approaches, we analyze the boundary and bulk critical behavior of such symmetry-enriched random quantum spin chains. We uncover a new class of symmetry-enriched infinite randomness fixed points: while local bulk properties are indistinguishable from conventional random singlet phases, nonlocal observables, and boundary critical behavior are controlled by a different renormalization group fixed point. We also illustrate how such new quantum critical points emerge naturally in Floquet systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Multi-Area Model-Free State Estimation via Distributed Tensor Decomposition

This paper proposes a model-free method for distribution system state estimation based on tensor completion using canonical polyadic decomposition. In particular, we consider a setting where the network is divided into multiple areas. The measured physical quantities at buses located in the same area are processed by an area controller. A third-order tensor is constructed to collect these measured quantities. The measurements are analyzed locally to recover the full state information of the network. A closed-form iterative algorithm based on the alternating direction method of multipliers is developed to obtain the low-rank factors of the whole network state tensor where information exchange happens only between neighboring areas. To demonstrate the efficacy of the developed algorithm, numerical simulations are carried out using an IEEE test system.

alternating direction method of multipliers↗
DOE OSTI2025

Throughput Measurements and Profile Analysis of Cloud Networks

Cloud networks utilize virtual connections to connect virtual machines distributed across cloud sites. They are increasingly deployed due to flexible provisioning using software and cost-effectiveness in not requiring to build physical network infrastructure. However, their extensive virtualization makes it unclear how well the established practices of conventional networks translate to them. Here, we study throughput measurements over a Google Cloud network using a matching hardware emulated conventional network, which provide production and exploratory conditions, respectively. The measurements span connections representing local, cross-continental and around the Earth distances. We study the effects of parallel flows, congestion control algorithms and retransmissions on the network throughput profile expressed as a function of RTT. We compare the throughput profile of Google Cloud network with those of emulated network under various loss conditions, including those too disruptive or expensive in the former. Our analysis based on the concave-convex shape and utilization-concavity coefficients of throughput profiles indicates an overall agreement of performance between the two networks, thereby justifying the use of conventional network emulations to analyze cloud networks. In terms of practical use, our study establishes that BBR and BBRv2 alpha TCP achieve higher throughput compared to loss-based congestion control algorithms under most network configurations, especially, under losses at large RTT.

Phanekham, Derek [Southern Methodist Univ., Dallas↗
DOE OSTI2022

Multiarea Distribution System State Estimation via Distributed Tensor Completion

Here, this paper proposes a model-free distribution system state estimation method based on tensor completion using canonical polyadic decomposition. In particular, we consider a setting where the network is divided into multiple areas. The measured physical quantities at buses located in the same area are processed by an area controller. A three-way tensor is constructed to collect these measured quantities. The measurements are analyzed locally to recover the full state information of the network. A distributed closed-form iterative algorithm based on the alternating direction method of multipliers is developed to obtain the low-rank factors of the whole network state tensor where information exchange happens only between neighboring areas. The convergence properties of the distributed algorithm and the sufficient conditions on the number of samples for each smaller network that guarantee the identifiability of the factors of the state tensor are presented. To demonstrate the efficacy of the proposed algorithm and to check the identifiability conditions, numerical simulations are carried out using the IEEE 123-bus system and a large-scale real utility feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗