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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamic voltage and frequency scaling based on memory channel slack

A processing system scales power to memory and memory channels based on identifying causes of stalls of threads of a wavefront. If the cause is other than an outstanding memory request, the processing system throttles power to the memory to save power. If the stall is due to memory stalls for a subset of the memory channels servicing memory access requests for threads of a wavefront, the processing system adjusts power of the memory channels servicing memory access request for the wavefront based on the subset. By boosting power to the subset of channels, the processing system enables the wavefront to complete processing more quickly, resulting in increased processing speed. Conversely, by throttling power to the remainder of channels, the processing system saves power without affecting processing speed.

Das, Shomit N.↗
DOE OSTI2025

Verification and Validation of Open-Source Computational Fluid Dynamics Capabilities in MOOSE

The Multiphysics Object Oriented Simulation Environment (MOOSE) advances predictive modeling in nuclear research by simplifying the application design process and making modeling more efficient and accessible to researchers and the broader community. Because of MOOSE’s critical role in the scientific computation field, verification and validation are important to evaluate the reliability and credibility of MOOSE’s code, simulations, and models. To assess MOOSE’s Navier Stokes module and turbulence models, the following verification and validation University of Manchester ERCOFTAC cases were simulated in MOOSE, and the results were compared: Case 032 Turbulent Flow in a 2D Channel Case 079 Natural Convection in an Enclosed Cavity

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
NASA NTRS1988

Finite-dimensional modeling of network-induced delays for real-time control systems

In integrated control systems (ICS), a feedback loop is closed by the common communication channel, which multiplexes digital data from the sensor to the controller and from the controller to the actuator along with the data traffic from other control loops and management functions. Due to asynchronous time-division multiplexing in the network access protocols, time-varying delays are introduced in the control loop, which degrade the system dynamic performance and are a potential source of instability. The delayed control system is represented by a finite-dimensional, time-varying, discrete-time model which is less complex than the existing continuous-time models for time-varying delays; this approach allows for simpler schemes for analysis and simulation of the ICS.

Ray, Asok↗
DOE OSTI2026

Agentic artificial intelligence for multistage physics experiments at a large-scale user facility particle accelerator

We present a language-model-driven agentic artificial intelligence (AI) system to autonomously execute multistage physics experiments on a production synchrotron light source. Implemented at the Advanced Light Source particle accelerator, the system translates natural language user prompts into structured execution plans that combine archive data retrieval, control-system channel resolution, automated script generation, controlled machine interaction, and analysis. In a representative machine physics task, we show that preparation time was reduced by 2 orders of magnitude relative to manual scripting even for a system expert, while operator-standard safety constraints were strictly upheld. Core architectural features, plan-first orchestration, bounded tool access, and dynamic capability selection, enable transparent, auditable execution with fully reproducible artifacts. These results establish a blueprint for the safe integration of agentic AI into accelerator experiments and demanding machine physics studies, as well as routine operations, with direct portability across accelerators worldwide and, more broadly, to other large-scale scientific infrastructures.

Accelerator/storage ring control systems↗
DOE OSTI2026

2025 EIC-France Workshop: Physics Highlights and Perspectives

This document presents a synthesis of the theory contributions and discussions from the 2nd EIC-France Workshop, held at IJCLab (Orsay) on 1-3 December 2025. The workshop brought together members of the French hadron-physics community to review recent theoretical developments relevant to the future Electron-Ion Collider (EIC) and to coordinate national efforts in preparation for its early physics program. The report first summarizes the collider's initial running conditions and luminosity performance, as outlined in the EIC Early Science Matrix. It then provides concise overviews of the theoretical presentations on inclusive, semi-inclusive, exclusive, heavy-flavor, and small-x physics. Based on these discussions, two measurements emerged as especially well suited for early EIC operation and strongly aligned with areas of established French expertise: inclusive diffraction and inclusive quarkonium production. These channels offer clean signatures, robust theoretical interpretability, and direct sensitivity to fundamental QCD phenomena such as gluon saturation, heavy-quark dynamics, and the small-x structure of hadrons and nuclei. In addition, the workshop identified longer-term physics opportunities that will benefit from the full capabilities of the EIC after its ramp-up phase. These include accessing the three-dimensional structure of the pion through the Sullivan process and a broader program of exclusive three-body final states, both of which represent high-impact avenues for exploring hadronic structure and non-perturbative QCD. Together, the elements summarized in this report provide a coherent overview of the strategic priorities and scientific ambitions shaping the French community's contribution to the EIC physics program.

FOS: Physical sciences↗
DOE OSTI2020

A density-functional theory study of the Al/AlOx/Al tunnel junction

The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. In this study, we use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

High-speed data acquisition for the Princeton University Dynamic Model Track

Real time analysis of data can reduce the time involved in exploring dynamic systems. The failure of the data acquisition system at the Princeton Dynamic Model Track prompted its replacement with a real time data acquisition system. Data can be obtained from an experiment and analyzed during and immediately following a data run. The new system employs high speed analog to digital conversion and a small computer to collect data. Sampling rates of 1000 hertz over 44 channels (44,000 words/sec) are obtainable. The data can be accessed as it enters the computer's environment where it may be displayed or stored for later processing. The system was tested on a helicopter rotor steep descent experiment. The data collected compares with previous data from a similar experiment.

Demko, Michael G.↗
NASA NTRS1983

High-speed wide band 20 x 20 microwave switch matrix

The use of a dynamic switching matrix for future communication satellites will significantly increase the communication channel capacity and improve the system capability and flexibility. This paper describes the design and development of a unique coupler crossbar 20 x 20 microwave switch matrix. This paper also presents the test results of the proof-of-concept model that meets the requirements for a high-speed satellite switched, time division multiple access (SS-TDMA) system.

Coban, E.↗
NASA NTRS2019

The MERiT Onboard the CeREs: A Novel Instrument to Study Energetic Particles in the Earth's Radiation Belts

The Miniaturized Electron pRoton Telescope, MERiT, is a low‐mass, low‐power, compact instrument using an innovative combination of particle detectors, sensor electronics, and onboard processing. MERiT is flying on the Compact Radiation belt Explorer, CeREs, a 3U CubeSat launched into a low earth orbit of 500‐km altitude and inclination of 85° on 16 December 2018. The primary and secondary science goals of CeREs are to investigate electron microbursts and to study solar particles. MERiT comprises a stack of solid state detectors (SSD) behind space facing avalanche photo diodes (APDs) surrounded by W‐Al shielding to reduce side‐penetrating particle background. The APD‐SSD combination enables measurement of electrons from 5 to 200 keV and 1 to 8 MeV; protons from 200–400 keV and 7–100 MeV in differential channels with energy resolution ΔE/E≈30% for both electrons and protons. MERiT measures microbursts with a high time resolution ranging from 4 to 16 ms and solar particles with a cadence of 1 s. MERiT energy channels and cadences are software configurable via algorithms and lookup tables residing on a field‐programmable gate array. The lookup tables can be changed via ground commands. MERiT geometry factor is 31 sq.cm‐sr and optimized to measure microbursts with the instrument viewing the local zenith in orbit. MERiT enables investigation of dynamical processes of radiation belt electron energization and loss, solar electron and proton transport, and their access to the Earth's polar caps. We describe the MERiT sensor design, calibration, operational modes, data products, and science goals.

Kanekal, S. G.↗
DOE OSTI2022

Excited-State-Selective Ultrafast Relaxation Dynamics and Photoisomerization of trans-4,4'-Azopyridine

Here, excited-state dynamics of trans-4,4’-azopyridine in ethanol is studied using femtosecond transient absorption with 30 fs temporal resolution. Exciting the system at three different wavelengths, 460- and 290-(275) nm, to access the S 1 n,π* and S 2 π,π* electronic states, respectively, reveals a 195 cm -1 vibrational coherence, that suggests that the same mode is active in both n,π* and π,π* relaxation channels. Following S 1 -excitation, relaxation proceeds via a nonrotational pathway, where a fraction of the n,π* population is trapped in a planar minimum (lifetime, 2.1 ps), while the remaining population travels further to a second shallow minimum (lifetime, 300 fs) prior to decay into the ground state. Population of the S 2 state leads to 30-fs non-rotational relaxation with a concurrent buildup of n,π* population and nearly simultaneous formation of hot ground state species. An increase in the cis-isomer quantum yield upon π,π* vs. n,π* excitation is observed, which is opposite to trans-azobenzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

UV photodissociation dynamics of the acetone oxide Criegee intermediate: experiment and theory

Here, the photodissociation dynamics of the dimethyl-substituted acetone oxide Criegee intermediate [(CH 3 ) 2 COO] is characterized following electronic excitation to the bright 1 ππ* state, which leads to O ( 1 D) + acetone [(CH 3 ) 2 CO, S 0 ] products. The UV action spectrum of (CH 3 ) 2 COO recorded with O ( 1 D) detection under jet-cooled conditions is broad, unstructured, and essentially unchanged from the corresponding electronic absorption spectrum obtained using a UV-induced depletion method. This indicates that UV excitation of (CH 3 ) 2 COO leads predominantly to the O ( 1 D) product channel. A higher energy O ( 3 P) + (CH 3 ) 2 CO (T 1 ) product channel is not observed, although it is energetically accessible. In addition, complementary MS-CASPT2 trajectory surface-hopping (TSH) simulations indicate minimal population leading to the O ( 3 P) channel and non-unity overall probability for dissociation (within 100 fs). Velocity map imaging of the O ( 1 D) products is utilized to reveal the total kinetic energy release (TKER) distribution upon photodissociation of (CH 3 ) 2 COO at various UV excitation energies. Simulation of the TKER distributions is performed using a hybrid model that combines an impulsive model with a statistical component, the latter reflecting the longer-lived (>100 fs) trajectories identified in the TSH calculations. The impulsive model accounts for vibrational activation of (CH 3 ) 2 CO arising from geometrical changes between the Criegee intermediate and the carbonyl product, indicating the importance of CO stretch, CCO bend, and CC stretch along with activation of hindered rotation and rock of the methyl groups in the (CH 3 ) 2 CO product. Detailed comparison is also made with the TKER distribution arising from photodissociation dynamics of CH 2 OO upon UV excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Disentangling Memristive and Memcapacitive Effects in Droplet Interface Bilayers Using Dynamic Impedance Spectroscopy

The underlying principles for generating intelligent behavior in living organisms are fundamentally different from those in traditional solid-state circuits. Biomimetic neuromorphic equivalents based on biological membranes offer novel implementation of tunable plasticity and diverse mechanisms to control functionality. Here, dynamic electrochemical impedance spectroscopy (dEIS) to probe diphytanoylphosphatidylcholine (DPhPC) droplet interface bilayers (DIBs) to better understand the differences in molecular level structure/dynamics that give rise to hysteretic loops and neuromorphic, memelement behaviors in lipid bilayers in response to electrical biasing is used. Importantly, this system does not have ion-conducting channels and is, therefore, not expected to show memristive behavior. Surprisingly, both memristive and memcapacitive behaviors by measuring the time-dependent complex impedance of DPhPC DIBs are detected. Furthermore, it is shown that nonlinear memristance can originate from structural changes in the bilayer, affecting its dielectric properties. This novel dEIS application allows for the simultaneous analysis of the system's changing memristive and memcapacitive properties, which originate from different molecular restructuring processes. Moreover, and importantly, access to this type of information increases the number of neuromorphic processes supported simultaneously in a single two-terminal device.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of different manufacturing methods on polyamide reverse-osmosis membranes for desalination: Insights from molecular dynamics simulations

Membranes are a key technology platform for a broad application of energy-efficient separations. To best serve the separation demands of industry, the manufacturing processes for these membranes are garnering increasing attention. In particular, for water desalination, the industry leading polyamide (PA) reverse osmosis (RO) membranes can be manufactured via molecular layer-by-layer (mLBL) deposition, interfacial polymerization (IP), and 3D-printing technique. However, the influence of different manufacturing methods on PA membrane’s properties is far from understood. Here, in this study, we present the high-pressure transport behavior of water and salt ions for PA membranes formed with IP, mLBL, and 3D-printing through non-equilibrium molecular dynamics simulations. Studies show that membranes fabricated with 3D-printing have similar performances to those manufactured using mLBL, quantified by water permeability, rejection of salt ions, structural integrity, and porosity features. However, the membranes formed with IP exhibit faster water transport, lower rejection, worse structural integrity, and more inhomogeneous network pores than those constructed using mLBL and 3D-printing. The unconnected water-accessible space governs water transport for PA membranes formed with mLBL and 3D-printing, which offers the impermanent open-closed pores that enable water to jump through PA membranes. In contrast, the permeated water-enterable space plays a prominent role in water movement across the PA membrane formed with IP, providing a continuous transport channel at high pressure. Importantly, we observe the more significant compaction features at high pressure for PA membranes formed with IP than mLBL and 3D printing. In short, these findings provide a comprehensive understanding of existing membrane preparation technologies. It also provides a guide for developing the new membrane preparation process at the molecular level.

3D-printing↗
NASA NTRS2012

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Pohorille, Andrew↗
DOE OSTI2026

MRV Challenge 3: velocity and passive scalar comparison in a 3D turbulent flow

The third iteration of a magnetic resonance velocimetry (MRV) challenge comparison activity consisting of 3D flow measurements for a turbulent flow in a water channel moving past centrally positioned cubic obstacles is reported. In this challenge iteration, MRV measurements are coupled with either temperature or concentration measurements to extend the diagnostic utility. Five research teams from around the world conducted the measurements on a single shared apparatus. The water channel included partial elements along the channel sidewalls that varied in height and precluded easy optical accessibility. In addition to a turbulent mainstream flow, a secondary flow entered the channel between the second and third cubic elements from a square injector hole at the channel bottom wall. The injector jet interacts with the mainstream flow and mixes turbulently as it advects downstream. For the selected flow regime and water solutions used as working fluids, the mixing of the higher temperature or concentration through the secondary flow with the mainstream flow satisfies the same dynamics so that both temperature and concentration fields behave as passive scalars and can be directly compared. The measurements are explained in detail by each participating team, and the results are interpolated onto a common grid and compared using line profiles, contour plots, and isosurfaces.

Benson, Mike [ORNL] (ORCID:000000023210116X)↗
DOE OSTI2025

Photoredox Catalysis with Spin Magnetic Field Effects: A Scheme for Chiral Resolution

Quantities that break both mirror symmetry and time-reversal symmetry, such as the orbital angular momentum, are known to connect molecular chirality with an applied magnetic field. This concept has led to observations such as magneto-chiral dichroism and chirality-induced spin selectivity (CISS). However, being small, these effects often require additional amplification procedures such as flow chemistry to achieve bulk enantioseparation. In this work, we demonstrate how the magnetic field effect on photogenerated radical pairs, which also breaks time-reversal symmetry, can be harnessed for enantiopurification. Fundamental to this process is the collective decay of the singlet and triplet radical-pair states made possible by an applied magnetic field. Because opposite enantiomers exhibit spin-orbit coupling matrix elements of opposite signs, the singlet and triplet decay channels interfere constructively in one enantiomer. Meanwhile, molecules of the other enantiomer are funnelled into the first enantiomer through excited-state chirality inversion, achieving (dynamic kinetic) chiral resolution. Using an axially chiral binaphthyl derivative and a borane photosensitizer as prototype, we predict an appreciable enantiomeric excess (e.e.) of 90% to be possible at steady state, attained within hundreds of milliseconds when irradiated by a laser. Importantly, our analytical results showcase regimes of perfect enantioselectivity (100% e.e.), accessible by further chemical optimization of the photosensitizer for which general strategies are discussed. Altogether, this work illustrates a so-far untapped but powerful control knob for photoredox catalysis based on spin chemistry principles.

Magnetic properties↗
DOE OSTI2026

Multifunctional electrochemical memory stabilized by phase coexistence

Our growing computing needs, especially in applications that heavily rely on artificial intelligence (AI), motivate a search for new components that could substantially augment the performance of general-purpose digital computers. Beyond ON/OFF switching, new components with linear multistate analog resistive tuning, nonlinear volatile switching, spiking, oscillatory, stochastic and other complex functionalities could enable highly efficient neuromorphic computing schemes for AI information processing. Compared to the extreme multifunctionality of biological neurons, realizing all the above characteristics in a single, scalable analog component remains a grand challenge. Here we investigate electrochemical gating combined with localized thermal activation to program and switch a single, vertically integrated and dimensionally scaled electrothermal chemical random access memory (ETCRAM) with a channel and reservoir composed of phase-separated vanadium oxide. Closely related to electrochemical RAM (ECRAM), ETCRAM uses an integrated gate-heater electrode to overcome kinetic barriers that help retain states at ambient temperatures. In addition to synapse-like stable and programmable analog resistance states arising from redox-tunable phase coexistence, a single component exhibits neuron-like nonlinear conductance switching with a tunable threshold and self-driven dynamics owing to the thermally driven metal-insulator phase transition in vanadium dioxide. More broadly, we demonstrate that electrochemically stabilized phase coexistence could unlock analog electronics with novel functionality, stability, reconfigurability, and scalability.

Oh, Sangheon [Sandia National Lab. (SNL-CA), Liver↗
DOE OSTI2021

A pathway to unveiling neutrinoless ββ decay nuclear matrix elements via γγ decay

We investigate the experimental feasibility of detecting second-order double-magnetic dipole (γγ-M1M1) decays from double isobaric analog states (DIAS), which have recently been found to be strongly correlated with the nuclear matrix elements of neutrinoless ββ decay. Using the nuclear shell model, we compute theoretical branching ratios for γγ-M1M1 decays and compare them with other competing processes, such as single-γ decay and proton emission, which represent the dominant decay channels. We also estimate the potential competition from internal conversion and internal pair creation, which can influence the decay dynamics. Additionally, we propose an experimental strategy based on using LaBr3 scintillators to identify γγ-M1M1 transitions from the DIAS amidst the background of the competing processes. Our approach emphasizes the challenges of isolating the rare γγ-M1M1 decay and suggests ways to enhance the experimental detection sensitivity. Our simulations suggest that it may be possible to access experimentally γγ-M1M1 decays from DIAS, shedding light on the neutrinoless ββ decay nuclear matrix elements.

Romeo, Beatriz↗