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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Synthesis of Hyperbranched Polymers via PET-RAFT Self-Condensing Vinyl Polymerization in a Flow Reactor

Photoinduced polymerization techniques have been used in preparing various polymeric materials as they share several advantages with thermally-triggered processes using mild conditions, low catalyst concentrations, and easy-to-perform experimental conditions. By combining photoinduced eletrotransfer reversible addition–fragmentation chain transfer (RAFT) polymerization with self-condensing vinyl polymerization (SCVP), in this work, a series of hyperbranched polymers is prepared in a flow reactor. Considered to be an alternative powerful method in improving scalability, reliability, and efficiency, the use of a flow reactor allowed us to synthesize hyperbranched poly(poly(ethylene glycol methyl ether)acrylate) (PPEGMEA) under extremely mild conditions–room temperature, open vessel, and use of LED light and water/methanol mixed solutions. Finally, the method also demonstrates considerable controllability in molecular weight and branching density by adjusting the feeding ratio of monomer to transmer, leading to the synthesis of block copolymers.

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

A numerical method for simulating variable density flows in membrane desalination systems

Here, we present a novel method for simulating unsteady, variable density, fluid flows in membrane desalination systems. By assuming the density varies only with concentration and temperature, the scheme decouples the solution of the governing equations into two sequential blocks. The first solves the governing equations for the temperature and concentration fields, which are used to compute all thermophysical properties. The second block solves the conservation of mass and momentum equations for the velocity and pressure. We show that this is computationally more efficient than schemes that iterate over the full coupled equations in one block. We verify that the method achieves second-order spatial-temporal accuracy, and we use the method to investigate buoyancy-driven convection in a desalination process called vacuum membrane distillation. Specifically, we show that with gravity properly oriented, variations in temperature and concentration can trigger a double-diffusive instability that enhances mixing and improves water recovery. We also show that the instability can be strengthened by providing external heating.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Deterministic Ferroelastic Domain Switching Using Ferroelectric Bilayers

Composition gradients, or dissimilar ferroelectric bilayers, demonstrate colossal electromechanical figures of merit attributed to the motion of ferroelastic domain walls. Yet, mechanistic understanding of polarization switching pathways that drive ferroelastic switching in these systems remains elusive. Here, the crucial roles of strain and electrostatic boundary conditions in ferroelectric bilayer systems are revealed, which underpin their ferroelastic switching dynamics. Using in situ electrical biasing in the transmission electron microscope (TEM), the motion of ferroelastic domain walls is investigated in a tetragonal (T) Pb(Zr,Ti)O 3 (PZT)/rhombohedral (R) PZT epitaxial bilayer system. Atomic resolution electron microscopy, in tandem with phase field simulations, indicates that ferroelastic switching is triggered by predominant nucleation at the triple domain junctions located at the interface between the T/R layers. Furthermore, this interfacial nucleation leads to systematic reversable reorientation of ferroelastic domain walls. Finally, deterministic ferroelastic domain switching, driven by the interfacial strain and electrostatic boundary conditions in the ferroelectric bilayer, provides a viable pathway toward novel design of miniaturized energy-efficient electromechanical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

NLR HPC Kestrel Jobs Data

Overview: Anonymized job-level records from the Kestrel HPC system at the National Laboratory of the Rockies (NLR). Each record represents a Slurm batch job with scheduling metadata, resource requests, utilization, energy estimates, and efficiency metrics. Sensitive fields (user, account, job name, submit line, working directory, submit script, and job type) are replaced with 7-character cryptographic hashes. System & Timeframe: Kestrel is located at the NLR campus. Standard compute nodes have 104 cores and 256 GB RAM; bigmem nodes have 2,000 GB. GPU nodes (gpu-h100 partition) use NVIDIA H100 GPUs. Data covers jobs submitted August 2023 through December 2025. Funding provided by the U.S. Department of Energy, EERE. Files: esif.hpc.kestrel.job-anon.zip — Anonymized job records (Hive-partitioned Parquet) datacard.md — Full dataset documentation ~11 million rows, 50 variables. Readable with PyArrow, pandas, DuckDB, Apache Spark, or any Parquet-compatible tool. Data Collection: Jobs collected via sacct with timezone-aware export (SLURM_TIME_FORMAT="%Y-%m-%dT%H:%M:%S%z"), loaded into PostgreSQL. Calculated columns updated via database triggers and batch functions. All timestamps use timestamptz and correctly handle DST transitions. Preprocessing: Anonymization of name, user, account, submit_line, work_dir, submit_script, and job_type via 7-char hex hashes Derived columns: queue_wait, cpu_eff, max/min/avg_mem_eff, energy estimates Simplified job state mapping (e.g., "CANCELLED by 132357" → "CANCELLED") Boolean flags: python_job, reframe_job Temporal decomposition: year, month, day, day_of_week, hour, minute from submit_time Shared node tracking: shared_job_count, nodes_shared, jobs_shared Key Variables: Scheduling: job_id, partition, state_simple, submit_time, start_time, end_time, queue_wait Resources: nodes_req/used, processors_req/used, memory_req, wallclock_req/used, gpus_requested Efficiency: cpu_eff, max/min/avg_mem_eff Energy: cpu_energy_tdp_estimated_max/used_watt_hours, consumed_energy_raw_joules, consumed_energy_raw_watt_hours Sharing: shared_job_count, nodes_shared, jobs_shared Partitions: short, standard, debug, gpu-h100 Job States: CANCELLED, COMPLETED, FAILED, PENDING, RUNNING QoS Levels: normal, high Important Notes: Timestamps include timezone offsets; DST transitions are handled correctly, though adding intervals across DST boundaries requires offset adjustment shared_job_count reflects physical node co-residency, not use of the shared partition Job step records and raw Slurm JSONB fields are excluded Do not attempt to re-identify individuals from hashed fields

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Radio detection of air showers with the ARIANNA experiment on the Ross Ice Shelf

The ARIANNA hexagonal radio array (HRA) is an experiment in its pilot phase designed to detect cosmogenic neutrinos of energies above 10 16 eV. The most neutrino-like background stems from the radio emission of air showers. Here this article reports on dedicated efforts of simulating and detecting the signals of cosmic rays. A description of the fully radio self-triggered data-set, the properties of the detected air shower signals in the frequency range of 100–500 MHz and the consequences for neutrino detection are given. 38 air shower signals are identified by their distinct waveform characteristics, are in good agreement with simulations and their signals provide evidence that neutrino-induced radio signals will be distinguishable with high efficiency in ARIANNA. The cosmic ray flux at a mean energy of 6.5$_{-1.0}^{+1.2} $×10 17 eV is measured to be 1.1$_{-0.7}^{+1.0} $ ×10 -16 eV -1 km -2 sr -1 yr -1 and one five-fold coincident event is used to illustrate the capabilities of the ARIANNA detector to reconstruct arrival direction and energy of air showers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Failure Probability Constrained AC Optimal Power Flow

Despite cascading failures being the central cause of blackouts in power transmission systems, existing operational and planning decisions are made largely by ignoring their underlying cascade potential. This paper posits a reliability-aware AC Optimal Power Flow formulation that seeks to design a dispatch point which has a low operator-specified likelihood of triggering a cascade starting from any single component outage. By exploiting a recently developed analytical model of the probability of component failure, our Failure Probability-constrained ACOPF (FP-ACOPF) utilizes the system's expected first failure time as a smoothly tunable and interpretable signature of cascade risk. Here, we use techniques from bilevel optimization and numerical linear algebra to efficiently formulate and solve the FP-ACOPF using off-the-shelf solvers. Extensive simulations on the IEEE 118-bus case show that, when compared to the unconstrained and N-1 security-constrained ACOPF, our probability-constrained dispatch points can significantly lower the probabilities of long severe cascades and of large demand losses, while incurring only minor increases in total generation costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Electromagnetic Fireworks: Fast Radio Bursts from Rapid Reconnection in the Compressed Magnetar Wind

One scenario for the generation of fast radio bursts (FRBs) is magnetic reconnection in a current sheet of the magnetar wind. Compressed by a strong magnetic pulse induced by a magnetar flare, the current sheet fragments into a self-similar chain of magnetic islands. Time-dependent plasma currents at their interfaces produce coherent radiation during their hierarchical coalescence. We investigate this scenario using 2D radiative relativistic particle-in-cell simulations to compute the efficiency of the coherent emission and to obtain frequency scalings. Consistent with expectations, a fraction of the reconnected magnetic field energy, f ~ 0.002, is converted to packets of high-frequency fast magnetosonic waves, which can escape from the magnetar wind as radio emission. In agreement with analytical estimates, we find that magnetic pulses of 10 47 erg s –1 can trigger relatively narrowband GHz emission with luminosities of approximately 10 42 erg s –1 , sufficient to explain bright extragalactic FRBs. The mechanism provides a natural explanation for a downward frequency drift of burst signals, as well as the ~100 ns substructure recently detected in FRB 20200120E.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Simultaneous ELM suppression and divertor detachment via synergistic boron powder and neon injection in EAST

A novel approach for simultaneous power exhaust and edge-localized mode (ELM) control is presented in the Experimental Advanced Superconducting Tokamak discharges, which utilize an ITER-like tungsten divertor. Real-time injection of boron (B) powder and neon (Ne) gas overcomes their limitations encountered when used separately. Pure Ne seeding leads to a narrow operational window constrained by core impurity accumulation and H-mode to L-mode back transitions, while pure solid B injection (SBI) is insufficient for effective divertor cooling. In comparison, their combined use achieves a stable, stationary, ELM-suppressed H-mode with adequate power exhaust. This synergistic scenario features partial energy detachment at the outer divertor while maintaining good plasma confinement (H 98 ∼ 1) with minimal degradation. Two key features of this scenario are: (1) the SBI triggers a persistent Edge Harmonic Mode (EHM), which provides a crucial continuous particle transport channel, preventing Ne and tungsten/molybdenum accumulation without flushing out by ELM, and (2) the B + Ne mixture allows for active optimization of the radiated power profile. Core radiation can be reduced by substituting a portion of the Ne with B, leveraging their complementary non-coronal equilibrium radiation efficiencies. This combined B + Ne injection scheme presents a promising pathway toward integrated core-edge scenarios, offering the potential to minimize total impurity throughput while leveraging an actuator (powder injection) already being considered for ITER.

Boron↗
DOE OSTI2024

Propelling sustainable energy: Multi-omics analysis of pennycress FATTY ACID ELONGATION1 knockout for biofuel production

Abstract The aviation industry’s growing interest in renewable jet fuel has encouraged the exploration of alternative oilseed crops. Replacing traditional fossil fuels with a sustainable, domestically sourced crop can substantially reduce carbon emissions, thus mitigating global climate instability. Pennycress (Thlaspi arvense L.) is an emerging oilseed intermediate crop that can be grown during the offseason between maize (Zea mays) and soybean (Glycine max) to produce renewable biofuel. Pennycress is being domesticated through breeding and mutagenesis, providing opportunities for trait enhancement. Here, we employed metabolic engineering strategies to improve seed oil composition and bolster the plant's economic competitiveness. FATTY ACID ELONGATION1 (FAE1) was targeted using CRISPR-Cas 9 gene editing to eliminate very long chain fatty acids (VLCFAs) from pennycress seed oil, thereby enhancing its cold flow properties. Through an integrated multiomics approach, we investigated the impact of eliminating VLCFAs in developing and mature plant embryos. Our findings revealed improved cold-germination efficiency in fae1, with seedling emergence occurring up to 3 d earlier at 10 °C. However, these alterations led to a tradeoff between storage oil content and composition. Additionally, these shifts in lipid biosynthesis were accompanied by broad metabolic changes, such as the accumulation of glucose and ADP-glucose quantities consistent with increased starch production. Furthermore, shifts to shorter FA chains triggered the upregulation of heat shock proteins, underscoring the importance of VLCFAs in stress signaling pathways. Overall, this research provides crucial insights for optimizing pennycress seed oil while preserving essential traits for biofuel applications.

Rasoul, Amira (ORCID:0009000714290175)↗
DOE OSTI2018

Relativistic Tidal Disruption and Nuclear Ignition of White Dwarf Stars by Intermediate-mass Black Holes

We introduce results from general relativistic calculations of the tidal disruption of white dwarf stars from near encounters with intermediate-mass black holes. We view the evolution of 0.2 M ⊙ and 0.6 M ⊙ stars on parabolic trajectories that approach 10 3 –10 4 M ⊙ black holes as close as a few Schwarzschild radii at periapsis, paying particular attention to the effect that tidal disruption has on thermonuclear reactions and the synthesis of intermediate-mass to heavy elements. These encounters create diverse thermonuclear environments that are characteristic of Type I supernovae and capable of producing both intermediate-mass and heavy elements in arbitrary ratios, depending on the strength (or proximity) of the interaction. Nuclear ignition is triggered in all of our calculations, even at weak tidal strengths β ~ 2.6 and large periapsis radius R P ~ 28 Schwarzschild radii. A strong inverse correlation exists between the mass ratio of calcium-group to iron-group elements and tidal strength, with β ≲ 5 producing predominantly calcium-rich debris. At these moderate to weak interactions, nucleosynthesis is not especially efficient, limiting the total mass and outflows of calcium-group elements to <15% of available nuclear fuel. Iron-group elements, yet, continue to be produced in greater quantity and ratio with increasing tidal strength, peaking at ~60% mass conversion efficiency in our closest encounter cases. These events generate short bursts of gravitational waves with characteristic frequencies 0.1–0.7 Hz and strain amplitudes from 0.5 × 10 –22 to 3.5 × 10 –22 at a source distance of 10 Mpc.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Scintillation light in SBND: simulation, reconstruction, and expected performance of the photon detection system

SBND is the near detector of the Short-Baseline Neutrino program at Fermilab. Its location near to the Booster Neutrino Beam source and relatively large mass will allow the study of neutrino interactions on argon with unprecedented statistics. This paper describes the expected performance of the SBND photon detection system, using a simulated sample of beam neutrinos and cosmogenic particles. Its design is a dual readout concept combining a system of 120 photomultiplier tubes, used for triggering, with a system of 192 X-ARAPUCA devices, located behind the anode wire planes. Furthermore, covering the cathode plane with highly-reflective panels coated with a wavelength-shifting compound recovers part of the light emitted towards the cathode, where no optical detectors exist. We show how this new design provides a high light yield and a more uniform detection efficiency, an excellent timing resolution and an independent 3D-position reconstruction using only the scintillation light. Finally, the whole reconstruction chain is applied to recover the temporal structure of the beam spill, which is resolved with a resolution on the order of nanoseconds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Search for Slow Magnetic Monopoles with the NOνA Far Detector

The magnetic monopole is a hypothetical particle with a magnetic charge. It is an important field configuration in many Grand Unified Theories. Dirac in 1931 derived a charge quantization condition, which suggests that the existence of one magnetic monopole in the universe will explain electric charge quantization. Since then, a search of the elusive particle has begun, and yet all came with negative results. The NO$\nu$A Far Detector is able to probe some of the parameter space for the search for monopoles. To achieve this, two dedicated triggers, one for fast monopoles and the other for slow monopoles, have been developed to record signals. Results for the first 8 months of high-gain slow monopole data were obtained, and a 90\% CL limit was established with no monopole observed. The analysis in this thesis is focused on new data with a higher gain, and we have explored potential improvement in efficiency and improvements in the reconstruction algorithm. We have done this an alysis on Monte-Carlo generated simulated data to establish efficiencies and examined a control set of the new data to understand its differences from the old.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Data-driven modeling of dynamic occupant thermostat override behavior for demand response applications

Buildings consume nearly 40% of global energy and produce similar emissions. Whiletechnological advances address efficiency, occupant behavior causes energy use variations up to 300% between identical buildings. This gap between predicted and actual building performance impacts building design, operations, and grid demand management programs. Through analyses of smart thermostat data from 1,400 single-occupant homes, the researchdemonstrates that occupants respond to 8°F thermostat setpoint changes within a median of 15 minutes, while 2°F changes trigger responses within a median of 30 minutes. This highlights an understudied temporal relationship between thermostat setbacks and response time of occupant behaviors. Models of such behavior dynamics are required to incorporate occupant impacts into building performance simulation. A key contribution of this dissertation is the Thermal Frustration Theory (TFT), which positsthat thermal discomfort driven behaviors are caused by the time-accumulation of discomfort, not simply a temperature deviation threshold or a delay from an initiating event. Using a dataset of 634 thermostats, each with 25+ manual setpoint changes, a comparative analysis of TFT and comfort zone and a delayed response theories demonstrated that personalized TFT models better predict when manual setpoint change occur. This was measured by the area under the curve statistical measure (AUC); all three models perform similarly by a Matthews Correlation Coefficient measure. Higher AUC performance is especially important for modeling occupant behavior in demand response programs where false negatives of rare occupant interactions could adversely affect grid stability. EnergyPlus based simulations were conducted with TFT-derived occupant models, demonstrating the ability to identify parameters of known TFT models from only data observable with smart thermostats, even under the presence of noise from routine overrides. Overall, the dissertation highlights that thermostat interactions are neither static,instantaneous, nor driven solely by the environment. Instead, temporal accumulation of discomfort and routine-based behavior play important roles. The methodology and results offer a pathway towards more accurate modeling of human-building interactions for policy assessment, building design, and demand response programs.

Sharma, Kunind [Northeastern University] (ORCID:00↗
DOE OSTI2020

An Interaction-Free Quantum Measurement-Driven Engine

Recently highly-efficient quantum engines were devised by exploiting the stochastic energy changes induced by quantum measurement. Here we show that such an engine can be based on an interaction-free measurement, in which the meter seemingly does not interact with the measured object. We use a modified version of the Elitzur–Vaidman bomb tester, an interferometric setup able to detect the presence of a bomb triggered by a single photon without exploding it. In our case, a quantum bomb subject to a gravitational force is initially in a superposition of being inside and outside one of the interferometer arms. We show that the bomb can be lifted without blowing up. This occurs when a photon traversing the interferometer is detected at a port that is always dark when the bomb is located outside the arm. The required potential energy is provided by the photon (which plays the role of the meter) even though it was not absorbed by the bomb. A natural interpretation is that the photon traveled through the arm which does not contain the bomb—otherwise the bomb would have exploded—but it implies the surprising conclusion that the energy exchange occurred at a distance despite a local interaction Hamiltonian. We use the weak value formalism to support this interpretation and find evidence of contextuality. Regardless of interpretation, this interaction-free quantum measurement engine is able to lift the most sensitive bomb without setting it off.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Exascale Programming Approaches for Accelerated Climate Modeling for Energy

The Accelerated Climate Modeling for Energy (ACME) program is a leading-edge climate and Earth system model designed to address the U.S. Department of Energy (DOE) mission needs. The ACME project involves collaboration between seven National Laboratories, the National Center for Atmospheric Research, four academic institutions, and one private-sector company. The ACME project funds ongoing efforts to ensure the model continues to make efficient use of DOE Leadership Computing Facilities (LCFs) in order to best address the three driving grand challenge science questions:Water cycle: How will more realistic portrayals of features important to the water cycle (resolution, clouds, aerosols, snowpack, river routing, land use) affect river flow and associated freshwater supplies at the watershed scale?Cryosphere systems: Could a dynamical instability in the Antarctic ice sheet be triggered within the next 40 years?Biogeochemistry: What are the contributions and feedbacks from natural and managed systems to current greenhouse gas fluxes, and how will those factors and associated fluxes evolve in the future?

Norman, Matthew↗
DOE OSTI2022

Enhanced Surface Passivation by Atomic Layer Deposited Al 2 O 3 for Ultraviolet Sensitive Silicon Photomultipliers

Here, we describe a superior passivation of p-type (p + ) Si surface by Al 2 O 3 thin film that is synthesized by plasma-assisted atomic layer deposition for ultraviolet sensitive silicon photomultipliers (SiPM), compared to conventional SiO 2 and SiN x passivation schemes. The superiority of Al 2 O 3 passivation is due to not only a sufficiently low interface defect density but also a high density of built-in negative charges. A 7 nm thin Al 2 O 3 film can yield an emitter saturation current density of ~8 fA/cm 2 on high sheet resistance p + layer, compared to ~60 and ~1480 fA/cm 2 for thermal SiO 2 and SiN x passivation. This superior surface passivation allows the photon-generated carriers to have higher probabilities to reach the high-field region to trigger an avalanche event. In addition, Al 2 O 3 thin film provides very low values of effective surface recombination velocity on low resistivity n-type and p-type Si surfaces, which can lead to well-passivated surface features on guard ring and trench isolation regions of SiPM. These demonstrate the potential of Al 2 O 3 thin film passivation to improve quantum efficiency and thus photo-detection efficiency of ultraviolet sensitive SiPM with p + /n - /n/n + structure.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Final Report: High Energy Physics at the Energy Frontier at Louisiana Tech

The Louisiana Tech University High Energy Physics group has developed a research program aimed at experimentally testing the Standard Model of particle physics and searching for new phenomena through a focused set of analyses in collaboration with the ATLAS experiment at the Large Hadron Collider (LHC) at the CERN laboratory in Geneva. This research program includes involvement in the current operation and maintenance of the ATLAS experiment and full involvement in Phase 1 and Phase 2 upgrades in preparation for future high luminosity (HL-LHC) operation of the LHC. Our focus is solely on the ATLAS experiment at the LHC, with some related detector development and software efforts. We have established important service roles on ATLAS in five major areas: Triggers, especially jet triggers; Data Quality monitoring; grid computing; GPU applications for upgrades; and radiation testing for upgrades. Our physics research is focused on multijet measurements and top quark physics in final states containing tau leptons, which we propose to extend into related searches for new phenomena. Focusing on closely related topics in the jet and top analyses and coordinating these analyses in our group has led to high efficiency and increased visibility inside the ATLAS collaboration and beyond. Based on our work in the DØ experiment in Run II of the Fermilab Tevatron Collider, Louisiana Tech has developed a reputation as one of the leading institutions pursuing jet physics studies. Currently we are applying this expertise to the ATLAS experiment, with several multijet analyses in progress.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗