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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Cluster dynamics modeling of irradiation growth in single crystal Zr

Irradiation growth of single-crystal Zr is modeled with a reduced set of cluster dynamics equations. Nucleation and growth of basal and prismatic dislocation loops are both accounted for in the model. Equations are developed for the time evolution of single point defects, a limited number of point defect clusters, interstitial and vacancy loop nucleation rates, as well as for the growth of vacancy loops on basal planes and interstitial loops on prismatic planes. Reduction of the usual infinite hierarchy of cluster dynamics equations to the simple set studied here is justified on the physical basis of the stability of small loops once nucleated. This simplified cluster dynamics model with a small number of adjustable parameters avoids the complexity of explicit representation of higher order point defect clusters. The model shows consistency with experimental observations of the following aspects: (1) the growth rates of Zr crystals along the a- and c-axes; (2) the onset dose for breakaway irradiation growth; (3) the saturation dislocation loop densities of vacancy and interstitial loops; (4) the effects of cold work and temperature on irradiation growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Model-Based Diagnostics and Mitigation of Cyber Threats

The report summarizes key tasks performed to develop a toolkit for detecting cyber-attack events in instrumentation and control (I&C) systems of nuclear power plants. The toolkit connects the state-of-the-art GPWR Simulator with the RELAP5 code providing best-estimate nuclear steam supply system (NSSS) analyses, via the application programming interface (API), and allows users to introduce potential cyber-attack scenarios into power plant operational simulation. This summary for the project reflects topical reports submitted during the project as well as a journal paper published in 2022. The focus areas of the summary include: (1) modeling I&C systems for the AP1000 Generation III+ nuclear plant and GPWR simulator, (2) simulation and monitoring of plant response to cyber-attack events, (3) API structure for the toolkit interfacing the GPWR simulator and RELAP5 code, and (4) restructuring of the three-loop NSSS software of GPWR to model the two-loop AP1000 structure. Discussed in some details are (a) the attack tree analysis assessing the susceptibility of the AP1000 I&C system, resulting in reactor trips, in terms of the attack possibility and component sensitivity and (b) realistic estimation of the time to steam generator trip due to cyber-intrusions in the GPWR Simulator. Finally, sample demonstrations of the cyber-security tool kit, in the form of the GPWR-RELAP5 API, are summarized.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

On the effective theory of neutrino-electron and neutrino-quark interactions

We determine the four Fermi effective theory of neutrino interactions within the Standard Model including one-loop electroweak radiative corrections, in combination with the measured muon lifetime and precision electroweak data. Including two-loop matching and three-loop running corrections, we determine lepton coefficients accounting for all large logarithms through relative order $\cal{O}(\alpha \alpha_s)$ and quark coefficients accounting for all large logarithms through ${\cal{O}}(\alpha)$. We present four-fermion coefficients valid in $n_f=3$ and $n_f=4$ flavor quark theories, as well as in the extreme low-energy limit. We relate the coefficients in this limit to neutrino charge radii governing matter effects via forward neutrino scattering on charged particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Areas of planar loops, coarsening and the TT¯ deformation

Abstract We recall the origins of the law of the distribution of areas contained within domain wall loops in critical 2D models, and its evolution under a thermal quench to the ordered phase. We conjecture that the latter is described by the so-called T T ¯ deformation of the critical model.

Physics↗
DOE OSTI2025

Portal matter models of kinetic mixing with two light dark gauge bosons

The kinetic mixing (KM) portal mandates the existence of at least one new gauge boson, the dark photon (DP) based on the group 𝑈⁢(1) 𝐷 , which mixes with the Standard Model (SM) photon via loops of other new heavy particles carrying both SM and dark charges called portal matter (PM). Arguments exist based on the renormalization group equations running of the 𝑈⁢(1) 𝐷 gauge coupling suggesting that at higher scales 𝑈⁢(1) 𝐷 becomes part of a more complex non-Abelian group, a simple example being just the SM-like 𝐺 𝐷 =𝑆⁢𝑈⁢(2)𝐼 ×𝑈⁢(1) 𝑌 𝐼 . In our past analyses, it was always assumed that 𝐺 𝐷 broke in a SM-like manner directly to the DP’s 𝑈⁢(1) 𝐷 which then subsequently broke at low energies ≲1 GeV. However, this need not be the case, and 𝐺 𝐷 can instead break to 𝑈⁢(1) 𝑇 3⁢𝐼 ×𝑈⁢(1) 𝑌 𝐼 , with 𝑇 3⁢𝐼 being the diagonal generator of 𝑆⁢𝑈⁢(2) 𝐼 , now producing two light gauge bosons which obtain masses at the ≲1 GeV scale. In this paper, we explore the phenomenology of a very simple realization of this kind of alternative setup employing non-Abelian KM and having a minimal, leptonlike PM sector, demonstrating its distinctive nature in comparison to the previously examined symmetry breaking path. The effects of interference between these gauge bosons on thermal dark matter annihilation, the production of new heavy gauge, and Higgs and PM states at colliders, as well as the corresponding signatures for the light dark gauge bosons are examined. Collider signatures of this setup are found to be particularly challenging.

extensions of Higgs sector↗
DOE OSTI2023

Data-driven modeling and control of an X-ray bimorph adaptive mirror

Adaptive X-ray mirrors are being adopted on high-coherent-flux synchrotron and X-ray free-electron laser beamlines where dynamic phase control and aberration compensation are necessary to preserve wavefront quality from source to sample, yet challenging to achieve. Additional difficulties arise from the inability to continuously probe the wavefront in this context, which demands methods of control that require little to no feedback. In this work, a data-driven approach to the control of adaptive X-ray optics with piezo-bimorph actuators is demonstrated. This approach approximates the non-linear system dynamics with a discrete-time model using random mirror shapes and interferometric measurements as training data. For mirrors of this type, prior states and voltage inputs affect the shape-change trajectory, and therefore must be included in the model. Without the need for assumed physical models of the mirror's behavior, the generality of the neural network structure accommodates drift, creep and hysteresis, and enables a control algorithm that achieves shape control and stability below 2 nm RMS. Using a prototype mirror and ex situ metrology, it is shown that the accuracy of our trained model enables open-loop shape control across a diverse set of states and that the control algorithm achieves shape error magnitudes that fall within diffraction-limited performance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Active Learning Framework

Machine learning (ML) of interatomic potentials show great promise to accelerate scientific simulation, e.g., by emulating expensive computations at a high accuracy but much reduced computational cost. Training datasets are calculated from computationally expensive ab initio quantum mechanics methods, density functional theory (DFT). Trained on this data, an ML model can be very successful in predicting energy and forces for new atomic configurations. A critical factor is the quality and diversity of the training dataset. Thus, a highly automated approach to dataset construction based on active learning framework is designed suitable for material physics. The active learning scheme begins with fully randomized atomic configurations. Then, many Molecular Dynamics (MD) trajectories are simulated using current ML potentials, where each MD trajectory is initialized to a random disordered configuration. The temperature is varied in order to diversify the sampled configuration during these simulations. The variance of predictions for eight neural networks within an ensemble is analyzed to determine whether the model is operating as expected. This helps in determining whether collecting more data would be helpful to the model by checking the ensemble variance is greater than the threshold. In this case, the MD trajectory is terminated and the final atomic configuration is placed on a queue (SQL database) for DFT calculations and added to training dataset. Periodically, ML model is retrained to the updated training model. This Active Learning loop is iterated until the cost of MD simulations becomes prohibitively expensive. The MD simulations will hopefully be sufficiently robust to support nucleation after many active learning iterations. In this sense, active learning scheme must automatically discover the important low energy and nonequilibrium physics.

Nebgen, Benjamin↗
DOE OSTI2025

pnnl/GeoCLUSTER

GeoCLUSTER is a Python-based web application that provides a collection of interactive methods for streamlining the visualization of the technical and economic modeling of closed-loop geothermal systems.

Buchko, Alex [Pacific Northwest National Laborator↗
DOE OSTI2024

Emerging Functionality in Transition-Metal Compounds Driven by Spatial Confinement and Broken Symmetry

This research project investigates the emerging functionality in transition-metal-compounds (TMCs) driven by spatial confinement and broken symmetry. It combines advanced growth capabilities with cutting-edge characterization and first principles theory to probe and control the properties of TMC interfaces, including the utilization and development of state-of-the-art atomically resolved electron microscopy and spectroscopy to determine the structure, composition, and bonding at TMC interfaces. The proposed research will focus on four challenging areas: 1) manipulate interfaces to design new material phases such as magnetic metals with unique polar structure (net dipole) to achieve multiple functionality; 2) explore electronic mismatch or screening at interfaces of insulating/poor metal TMCs to produce novel electronic and magnetic properties; 3) elucidate and exploit the role of defects, both point and extended, on the functionality of interfaces; 4) develop advanced electron microscopy/spectroscopy techniques to explore temperature dependent phase transitions and couple these structural tools with new nonlinear optical probes of the electronic structure. The research team aims to close the materials-by-design loop of make, measure, model, and modify. The program promises to enhance our ability to engineer the desired physical properties at interfaces, superlattices (periodic arrays of films of different compounds), and heterostructures of TMCs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Safety Analysis of FeCrAl Accident-Tolerant Fuels with Increased Enrichment and Extended Burnup

The U.S. nuclear industry is facing a strong challenge to maintain regulatory-required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects related to the operation of light water reactor nuclear power plants (NPPs), and it can be achieved more economically by using a risk-informed ecosystem, such as that being developed by the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. This program is promoting a wide range of research and development activities to maximize both the safety and economically efficient performance of NPPs through improved scientific understanding, especially given that many plants are considering a second license renewal. The Risk-Informed Systems Analysis Pathway has two main goals: (1) The deployment of methodologies and technologies that enable a better representation of the safety margins and factors that contribute to cost and safety, and (2) The development of advanced applications that enable cost-effective plant operation. As part of this pathway, the Enhanced Resilient Plant project refers to an NPP where safety is improved by implementing various measures, such as accident-tolerant fuels, diverse and flexible coping strategies, enhancements to plant components and systems, incorporation of augmented or new passive cooling systems, and utilization of advanced battery technologies. The objective of the Enhanced Resilient Plant project is to use novel methods and computational tools to enhance existing reactors’ safety while reducing operational costs. This report documents research and development conducted in support of deployment of accident-tolerant fuels. This project performed safety analyses for the steady-state normal operation, anticipated operational occurrences, and design-basis accidents of a representative four-loop pressurized water reactor model with Zr and FeCrAl accident-tolerant fuel clad with higher enrichment and burnup supporting plant refueling cycles of 18 and 24 months. The source terms and environmental impacts were studied for a large-break loss of coolant accident, including uncertainty analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Fire–precipitation interactions amplify the quasi-biennial variability in fires over southern Mexico and Central America

Fires have great ecological, social, and economic impact. However, fire prediction and management remain challenges due to a limited understanding of their roles in the Earth system. Fires over southern Mexico and Central America (SMCA) are a good example of this, greatly impacting local air quality and regional climate. Here we report that the spring peak (April–May) of fire activities in this region has a distinct quasi-biennial signal based on multiple satellite datasets measuring different fire characteristics. The variability is initially driven by quasi-biennial variations in precipitation. Composite analysis indicates that strong fire years correspond to suppressed ascending motion and weakened precipitation over the SMCA. The anomalous precipitation over the SMCA is further found to be mostly related to the East Pacific–North Pacific (EP-NP) pattern 2 months prior to the fire season. The positive phase of the EP-NP leads to enhanced precipitation over the eastern US but suppressed precipitation over the SMCA, similar to the spatial pattern of precipitation differences between strong and weak fire years. Meanwhile, the quasi-biennial signals in precipitation and fires appear to be amplified by their interactions through a positive feedback loop at short timescales. Model simulations show that in strong fire years, more aerosol particles are released and transported downstream over the Gulf of Mexico and the eastern US, where suspended light-absorbing aerosols warm the atmosphere and cause the ascending motion of the air aloft. Subsequently, a compensating downward motion is formed over the region of the fire source and ultimately suppresses precipitation and intensifies fires. Statistical analysis shows the different durations of the two-way interaction, where the fire suppression effect of precipitation lasts for more than 20 d, while fire leads to a decrease in precipitation at shorter timescales (3–5 d). This study demonstrates the importance of fire–climate interactions in shaping the fire activities on an interannual scale and highlights how precipitation–fire interactions at short timescales contribute to the interannual variability in both fire and precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Powertrain Autoresearch (TETA Autoresearch: RouteE Powertrain Experiments) [SWR-26-090]

Powertrain Autoresearch is an experiment repository based on the template set in teta-autoresearch containing branch history of LLM workers investigating powertrain ML model improvements. This repository contains an instance of teta-autoresearch applied to ML model exploration for RouteE Powertrain. An AI agent and human-in-the-loop iteratively explored feature space, ML model type, and hyperparameter spaces in an attempt to improve over existing models. The repo catalogs the result for review at USRSE 2026 Conference. Related: https://github.com/NatLabRockies/teta-autoresearch.

Reinicke, Nicholas [National Laboratory of the Roc↗
DOE OSTI2023

Reducing uncertainty of high-latitude ecosystem models through identification of key parameters

Abstract Climate change is having significant impacts on Earth’s ecosystems and carbon budgets, and in the Arctic may drive a shift from an historic carbon sink to a source. Large uncertainties in terrestrial biosphere models (TBMs) used to forecast Arctic changes demonstrate the challenges of determining the timing and extent of this possible switch. This spread in model predictions can limit the ability of TBMs to guide management and policy decisions. One of the most influential sources of model uncertainty is model parameterization. Parameter uncertainty results in part from a mismatch between available data in databases and model needs. We identify that mismatch for three TBMs, DVM-DOS-TEM, SIPNET and ED2, and four databases with information on Arctic and boreal above- and belowground traits that may be applied to model parametrization. However, focusing solely on such data gaps can introduce biases towards simple models and ignores structural model uncertainty, another main source for model uncertainty. Therefore, we develop a causal loop diagram (CLD) of the Arctic and boreal ecosystem that includes unquantified, and thus unmodeled, processes. We map model parameters to processes in the CLD and assess parameter vulnerability via the internal network structure. One important substructure, feed forward loops (FFLs), describe processes that are linked both directly and indirectly. When the model parameters are data-informed, these indirect processes might be implicitly included in the model, but if not, they have the potential to introduce significant model uncertainty. We find that the parameters describing the impact of local temperature on microbial activity are associated with a particularly high number of FFLs but are not constrained well by existing data. By employing ecological models of varying complexity, databases, and network methods, we identify the key parameters responsible for limited model accuracy. They should be prioritized for future data sampling to reduce model uncertainty.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

AEOLUS: Advances in Experimental Design, Optimal Control, and Learning for Uncertain Complex Systems

The AEOLUS Center is dedicated to developing a unified optimization-under-uncertainty framework for (1) learning predictive models from data and (2) optimizing experiments, processes, and designs governed by these models, all driven by complex, uncertain energy systems. AEOLUS addressed the critical need for principled, rigorous, scalable, and structure-exploiting capabilities for exploring parameter and decision spaces of complex forward simulation models---the so-called outer loop. This report summarizes the work done under DE-SC0021077 on (1) nonlocal models for solidification problems, (2) a multifidelity method for a nonlocal diffusion model, and (3) multifidelity Monte Carlo methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Loop-current charge density wave driven by long-range Coulomb repulsion on the kagomé lattice

Recent experiments on vanadium-based nonmagnetic kagomé metals A⁢V 3 ⁢Sb 5 ⁢(A=K,Rb,Cs) revealed evidence for possible spontaneous time-reversal symmetry (TRS) breaking in the charge density wave (CDW) ordered state. The long-sought-after quantum order of loop currents has been suggested as a candidate for the TRS breaking state. However, a microscopic model for the emergence of the loop-current CDW due to electronic correlations is still lacking. Here, in this work, we calculate the susceptibility of the real and imaginary bond orders on the kagomé lattice near van Hove filling, and reveal the importance of next-nearest-neighbor Coulomb repulsion V 2 in triggering the instability toward imaginary bond ordered CDW. The concrete effective single-orbital t–V 1 –V 2 model on the kagomé lattice is then studied, where t and V 1 are the hopping and Coulomb repulsion on the nearest-neighbor bonds. We obtain the mean-field ground states, analyze their properties, and determine the phase diagram in the plane spanned by V 1 and V 2 at van Hove filling. The region dominated by V 1 is occupied by a 2⁢a 0 ×2⁢a 0 real CDW insulator with the inverse of Star-of-David (ISD) bond configuration. Increasing V 2 indeed drives a first-order transition from ISD to stabilized loop-current insulators that exhibit four possible current patterns of different topological properties, leading to orbital Chern insulators. We then extend these results away from van Hove filling and show that electron doping helps the stabilization of loop currents, and gives rise to doped orbital Chern insulators with emergent Chern Fermi pockets carrying large Berry curvature and orbital magnetic moment. Our findings provide a concrete model realization of the loop-current Chern metal at the mean-field level for the TRS breaking normal state of the kagomé superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Loop Antennas for Use On/Off Ground Planes

Many applications benefit from the ability of an RFID tag to operate both on and off a conducting ground plane. This paper presents an electrically small loop antenna at 433 MHz that passively maintains its free-space tune and match when located a certain distance away from a large conducting ground plane. The design achieves this using a single radiation mechanism (that of a loop) in both environments without the use of a ground plane or EBG/AMC structure. An equivalent circuit model is developed that explains the dual-environment behavior and shows that the geometry balances inductive and capacitive parasitics introduced by the ground plane such that the free-space loop reactance, and thus resonant frequency, does not change. A design equation for balancing the inductive and capacitive parasitic effects is derived. Finally, experimental data showing the design eliminates ground plane detuning in practice is presented. The design is suitable for active, “hard” RFID tag applications.

42 ENGINEERING↗