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At least 847 records · Page 47

HYBRID Modeling of DETAIL Experimental Facility

Idaho National Laboratory continues to be at the forefront of advanced reactor systems and integrated energy systems research. Through the Thermal Energy Distribution System (TEDS) and Microreactor Agile Non-nuclear Test Bed (MAGNET) experiments in the Dynamic Energy Transport and Innovation Laboratory (DETAIL) within the Engineering Systems Laboratory, a mix of digital and physical testing systems can explore the operation of thermally and electrically integrated systems. Modeling of these systems has been done using the HYBRID modeling repository of the Integrated Energy Systems program. DETAIL also contains high temperature steam electrolysis (HTSE) units to produce hydrogen and generate the load imposed on MAGNET and TEDS. The dynamic modeling capabilities within the IES program describe the DETAIL components as-built and can be used to evaluate controls, process flows, and overall system conditions.

08 HYDROGEN↗

Validation and Verification of TEDS Facility HYBRID Modeling

The HYBRID modeling repository is an in-house developed library of models for selected integrated energy systems (IES) modelling. HYBRID models have been developed since 2015 to describe the physical operation of tightly coupled thermal systems including power generators, thermal transport systems, thermal storage, thermal-to-electric conversion systems, and other thermal applications. Here, validation and verification (V&V) capabilities are demonstrated using the Thermal Energy Distribution System (TEDS) at INL. Building upon prior work, the TEDS model has been updated and verified so that it better represents the installed system configuration and the operating control system. The model control system was changed to allow replication of actual experimental procedures. Experimental operations focusing primarily on thermocline tank performance were devised and performed. Several anomalies were found in the operation data of the experiment facility. V&V activities calibrating a selected input parameter are demonstrated on a single component as well as with a single parameter within the thermocline. Calibrating is then demonstrated on multiple components and a multi-parameter metric for the entire system. The validation methodology is successfully applied to validate the model with experimental data. It is also used to confirm a hypothesis behind one of the anomalies in experimental performance.

25 ENERGY STORAGE↗

Evaluation of Physical Security Risk for Potential Implementation of FLEX using Dynamic Simulation Methods

The requirements for United States nuclear power plants to maintain a large onsite physical security force contribute to their large operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability Program Physical Security Pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. This pathway will analyze and minimize the conservatisms built into current security postures in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within this pathway has successfully developed a dynamic force-on-force (FOF) modeling framework using various computer simulation tools and integrated them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an overview of lessons learned in applying a dynamic computational framework that links results from a commercially available FOF simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework. Previous reports described how a user could integrate their plant-specific FOF models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as Computer Aided Fault Tree Analysis System or Systems Analysis Programs for Hands-on Integrated Reliability Evaluations, and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance of the use of the framework. Such an assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants. NOTE: The work performed in this report is based on a generic EMRALD model with actual plant data used for the analysis. However, only the generic model and general results of the analysis are in the report. No plant’s sensitive information is discussed in this report. The discussion shows examples of insights that can be obtained from the MASS-DEF methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Dynamic modelling and control strategy of a temperature-driven metal hydride cooling system for buildings

A temperature-driven coupled metal hydride (MH) based thermal energy storage (TES) system can allow to shave and shift the peak energy demand in buildings. The high energy density and long-term (seasonal) energy storage capability are its major advantages over other energy storage methods. The dynamic nature of the MH operation, however, requires controlled hydrogen transfer between the coupled MHs at a rate needed to meet the building's transient load. While temperature-driven MH systems are studied in the literature, their application in buildings and control are scarcely reported. Here, this paper presents a control-based dynamic modeling of the temperature-driven coupled MH-TES system for building cooling applications. The dynamic model is developed in MATLAB(R) Simulink environment, considering the thermodynamic and kinetic behaviors of the MH systems. Based on a preliminary analysis of a property database of over 337 hydrides, we select around 1600 MH pairs suitable for building cooling applications. Each of these MH pairs is studied for their performance using the dynamic model, and among all, Zr 0.76 Ti 0.24 Ni 1.16 Mn 0.63 V 0.14 Fe 0.18 -Ti 0.85 Zr 0.15 Cr 1.2 Mn 0.8 MH pair showed fast dynamics along with high coefficient of performance (COP) of 0.71. A parametric investigation is performed on this MH pair to understand the effect of operating temperatures. Finally, three proportional-integral (PI) feedback controllers are investigated to regulate the temperature, pressure and mass exchange between the coupled MH pairs. The developed PI controller is sufficiently capable of rejecting the signal noise from the hydrogen flow and internal heat exchange processes with root mean square error of 5.78 W between reference and actual cooling load.

08 HYDROGEN↗

Möbius mirrors

An accelerating boundary (mirror) acts as a horizon and black hole analog, radiating energy with some particle spectrum. In this work, we demonstrate that a Möbius transformation on the null coordinate advanced time mirror trajectory uniquely keeps invariant not only the energy flux but the particle spectrum. We clarify how the geometric entanglement entropy is also invariant. The transform allows generation of families of dynamically distinct trajectories, including $\mathcal{PT}$ -symmetric ones, mapping from the eternally thermal mirror to the de Sitter horizon, and different boundary motions corresponding to Kerr or Schwarzschild black holes

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Selective Thermal Emission with Radiation and Adsorption in Annuli (STERADIAN): An Advanced Heat Exchanger Concept for Supercritical CO 2 Power Cycles

One of the key limitations affecting ability to achieve the efficiency and cost saving advantages of a supercritical CO 2 (scCO 2 ) power cycle resides with the primary heat exchanger where costs can exceed 50% of the plant capital budget depending on design. This project established the foundational groundwork for a new type of heat exchanger optimized to take advantage of radiative heat transfer to scCO 2 . Selective thermal emission coatings were designed and tested that radiated more light tuned to the 4.2 µm infrared absorption band of CO 2 . Coating design utilized principles of nanophotonic bandgap theory to design a selective emitter that has: 1) low emissivity in the visible band, 2) near 100% effective emissivity in the mid-IR wavelength between 4 and 4.5 µm wavelength, and 3) strong suppression of far-IR light emission that will maximize radiative heat transfer efficiency to scCO 2 . Computational fluid dynamics simulations show that an advanced heat exchanger implementing this selective thermal emitter coating is 25 to as much as 40% smaller than conventional heat exchanger designs.

14 SOLAR ENERGY↗

Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factor

Human acidic fibroblast growth factor (hFGF1) is an all beta-sheet protein that is involved in the regulation of key cellular processes including cell proliferation and wound healing. hFGF1 is known to aggregate when subjected to thermal unfolding. In this study, we investigate the equilibrium unfolding of hFGF1 using a wide array of biophysical and biochemical techniques. Systematic analyses of the thermal and chemical denaturation data on hFGF1 variants (Q54P, K126N, R136E, K126N/R136E, Q54P/K126N, Q54P/R136E, and Q54P/K126N/R136E) indicate that nullification of charges in the heparin-binding pocket can significantly increase the stability of wtFGF1. Triple variant (Q54P/K126N/R136E) was found to be the most stable of all the hFGF1 variants studied. With the exception of triple variant, thermal unfolding of wtFGF1 and the other variants is irreversible. Thermally unfolded triple variant refolds completely to its biologically native conformation. Microsecond-level molecular dynamic simulations reveal that a network of hydrogen bonds and salt bridges linked to Q54P, K126N, and R136E mutations, are responsible for the high stability and reversibility of thermal unfolding of the triple variant. In our opinion, the findings of the study provide valuable clues for the rational design of a stable hFGF1 variant that exhibits potent wound healing properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synergistically Chemical and Thermal Coupling between Graphene Oxide and Graphene Fluoride for Enhancing Aluminum Combustion

Metal combustion reaction is highly exothermic and is used in energetic applications, such as propulsion, pyrotechnics, powering micro- and nano-devices, and nanomaterials synthesis. Aluminum (Al) is attracting great interest in those applications because of its high energy density, earth abundance, and low toxicity. Nevertheless, Al combustion is hard to initiate and progresses slowly and incompletely. On the other hand, ultrathin carbon nanomaterials, such as graphene, graphene oxide (GO), and graphene fluoride (GF), can also undergo exothermic reactions. Herein, we demonstrate that the mixture of GO and GF significantly improves the performance of Al combustion as interactions between GO and GF provide heat and radicals to accelerate Al oxidation. Overall, our experiments and reactive molecular dynamics simulation reveal that GO and GF have strong chemical and thermal couplings through radical reactions and heat released from their oxidation reactions. GO facilitates the dissociation of GF, and GF accelerates the disproportionation and oxidation of GO. When the mixture of GO and GF is added to micron-sized Al particles, their synergistic couplings generate reactive oxidative species, such as CF x and CF x O y , and heat, which greatly accelerates Al combustion. This work demonstrates a new area of using synergistic couplings between ultrathin carbon nanomaterials to accelerate metal combustion and potentially oxidation reactions of other materials.

36 MATERIALS SCIENCE↗

Temperature-dependent lattice dynamics in polycrystalline ZrN

Zirconium nitride holds promise for improving nuclear reactor components, where thermal conductivity is important, highlighting the need for a detailed understanding of its phonons. However, the phonon dispersion derived from previous inelastic neutron scattering data is in disagreement with modern theoretical calculations, pointing to the necessity for further experimental validation. Here, in this study, we use inelastic neutron scattering experiments on polycrystalline ZrN at 6, 100, 300, 400, and 600 K, and density functional theory (DFT) calculations to study the momentum-resolved scattering and the phonon density of states. Both experimental and theoretical results reveal a phonon cutoff energy near 65 meV, in stark disagreement with previous single-crystal neutron scattering measurements indicating a cutoff near 75 meV. The 65 meV cutoff energy is, however, in reasonable agreement with previous measurements on ZrN 0.9 . Consistency between our theoretical and experimental results confirms that ZrN is a wide phonon band gap system and that DFT provides a reliable description of its phonons.

DFT↗

Hot Carrier Dynamics in Low-Dimensional Systems

This program aimed on a fundamental level to understand the nature of hot carrier transport and thermalization in both hybrid metal halide perovskites and type-II inorganic semiconductors; as well as, to assess the role of confinement, electron phonon interactions, and the dynamic nature of these systems under external perturbations.

14 SOLAR ENERGY↗

Analysis of the time-of-flight neutron scattering cross-section data for light water measured at the SEQUOIA spectrometer, Spallation Neutron Source (SNS)

Thermal neutron scattering cross-section data for light water available in the major nuclear data libraries observes significant differences especially at reactor operating temperatures. During the past few years there has been a renewed interest in reviewing the existing thermal scattering models and generating more accurate and reliable thermal scattering cross sections using existing experimental data and in some cases based on Molecular Dynamics (MD) simulations. There is a need for performing new time-of-flight experiments at high temperatures and pressures, to have a better understanding of the physics involved in the scattering process that could help improve the existing TSL data.Lack of experimental thermal scattering data for light water at high temperatures led to a new measurement campaign within the INSIDER project at the Institut de radioprotection et de sûreté nucléaire (IRSN). Double differential scattering cross section for light water have been measured at the SEQUOIA spectrometer based at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, United States. Several measurements have been carried out at different temperatures and pressures corresponding to liquid light water. Measurements at five different incident neutron energies Ei (8, 60, 160, 280 and 800 meV) have been carried out to help exploring different regions of the frequency spectrum. This paper presents the analysis of the dynamic structure factor and the derived frequency spectrum of light water. The analysis of the experimental data would provide one with better confidence, the behavior of thermal scattering cross sections for light water at high temperatures, knowledge of which is very important for the design of novel reactors as well as existing pressurized water reactors.

Jaiswal, V↗

EXERGETIC: De-Risking Next-Generation Resilient Geothermal Hybrids via At-Scale Evaluation Using Virtual Emulation Digital Twin Environment for Efficient Operation

The DOE-GTO-funded project, award number 5.1.2.12, entitled "EXERGETIC - De-risking Next Generation Resilient Geothermal Hybrids via at-Scale Evaluation Using a Virtual Emulation Digital Twin Environment for Efficient Operation," advances the solution to these challenges by developing and validating a geothermal co-emulation environment implemented at the National Laboratory of the Rockies (NLR)'s Advanced Research on Integrated Energy Systems (ARIES) platform. This framework enables the de-risking of next-generation geothermal and geothermal hybrid systems through high-fidelity modeling, real-time digital emulation, advanced control strategies, and techno-economic assessment. The project focused on geothermal hybrid configurations that integrate geothermal power plants with concentrated solar power and underground thermal energy storage, enabling enhanced efficiency, flexibility, and grid support capabilities. The main goal of this project was the development of a geothermal digital co-emulation environment to demonstrate the technical and economic value of geothermal hybrid systems and their contribution to grid stability and flexibility. The EXERGETIC framework combined physics-based models, controls, and real assets at ARIES, including digital real-time simulators (DRTS), a 20-MW-scale controllable grid interface (CGI), and a 2-MW conventional generator. Detailed transient models were developed for the key subsystems of a hybrid geothermal plant, including parabolic trough solar collectors, reservoir thermal energy storage (RTES), and a binary Organic Rankine Cycle (ORC) power plant. The ORC model explicitly captured thermal inertia and off-design operation and integrated control strategies to dynamically respond to electric load profiles. The models were validated against published experimental and numerical studies, demonstrating strong agreement and confirming the accuracy and robustness of the modeling approach. The resulting digital twin represents geothermal-solar-storage systems at multiple scales (1 MW to 100 MW) and enables realistic emulation of grid-connected operation. The control architecture allows the geothermal resource to provide stable baseload generation, while solar and stored thermal energy supply flexible, dispatchable support during periods of high demand or variable grid conditions. A key contribution of the EXERGETIC project is the demonstration that geothermal hybrid systems can be designed to be active grid assets rather than passive baseload generators. Using the ARIES platform, the digital twin was evaluated under multiple grid scenarios, including load following, voltage support at the distribution level, and frequency response at the transmission level. Results show that hybrid geothermal systems can respond effectively to dynamic grid conditions, providing inertia-like behavior, primary frequency support, and voltage regulation through coordinated control. In addition to the performance and grid services capability analysis of geothermal and hybrid geothermal systems, the EXERGETIC project also focused on scalability and techno-economic analysis of geothermal hybrid plants. In particular, for the scalability analysis, machine-learning (ML)-based surrogate models were trained using data generated from the geothermal digital twin under different grid-connected scenarios and plant capacities. These ML models demonstrated strong interpolation and extrapolation capabilities across plant sizes, accurately reproducing both steady-state and transient responses with very low errors. Regarding the techno-economic analysis, plant performance results were integrated with cost models for hybrid geothermal systems, and the levelized cost of electricity (LCOE) was used as the main economic metric to evaluate system performance across a range of system capacities, solar shares, solar multiples, and storage durations. Results indicate that economies of scale significantly reduce geothermal LCOE as plant capacity increases, with large-scale systems (25-100 MW) achieving substantially lower costs than small plants. Hybridization with solar thermal energy and storage further improves economic performance by increasing capacity utilization and enabling flexible dispatch. In addition, thermal storage plays a critical role in reducing LCOE by maximizing geothermal, solar, and stored energy resources. In summary, the results from this project demonstrate that geothermal hybrid systems represent a promising alternative for increasing the energy conversion efficiency of geothermal technologies, contributing to the preservation of geothermal resources, and supporting the transition of geothermal plants from traditional baseload resources into flexible, resilient, and cost-competitive energy conversion technologies.

15 GEOTHERMAL ENERGY↗

Phenomenology of the Prethermal Many-Body Localized Regime

The dynamical phase diagram of interacting disordered systems has seen substantial revision over the past few years. Theory must now account for a large prethermal many-body localized regime in which thermalization is extremely slow, but not completely arrested. We derive a quantitative description of these dynamics in short-ranged one-dimensional systems using a model of successive many-body resonances. Here, the model explains the decay timescale of mean autocorrelators, the functional form of the decay—a stretched exponential—and relates the value of the stretch exponent to the broad distribution of resonance timescales. The Jacobi method of matrix diagonalization provides numerical access to this distribution, as well as a conceptual framework for our analysis. The resonance model correctly predicts the stretch exponents for several models in the literature. Successive resonances may also underlie slow thermalization in strongly disordered systems in higher dimensions, or with long-range interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hypertriton puzzle in relativistic heavy-ion collisions

The yields of hadrons and light nuclei in relativistic collisions of heavy-nuclei at a center of mass energy of $\sqrt{s_{NN}}$ = 2.6 TeV can be described remarkably well by a thermal distribution of an ideal gas of hadrons and light nuclei interacting only via the decay of resonances. Given the particularly small binding energy of hypertritons relative to the temperature describing the yields (about 156 MeV), one might naturally expect hypertrions to dissociate in medium, making the agreement of hypertriton yields with thermal predictions highly puzzling. The puzzle is compounded by the fact that small binding energy is associated with the large size of the hypertriton. This size is on a similar scale to the overall size of the fireball and much larger than the length scale over which temperatures in the fireball vary over phenomenologically relevant amounts. Here, this paper quantifies the tension this effect causes and shows that it is sufficiently large to render the thermal model inconsistent: its natural assumptions are in conflict with its outputs. The possibility that hypertritons are formed at freeze out as compact objects, quark droplets, that subsequently evolve into hypertritons is considered as a way to resolve the puzzle. It is noted that beyond making the assumption that compact quark droplets form, additional detailed dynamical assumptions which have not been justified are needed to make the thermal model work. The issue of why, despite these issues, the hypertriton is well described by a simple statistical description at freeze out is unresolved. Resolving the hypertriton puzzle is important as it may clarify whether the phenomenological success of the simple thermal model for yields accurately reflects the simple picture of the underlying physics on which it is based.

hydrodynamic models↗

Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics

This review focuses on a recent class of path-integral-based methods for the simulation of nonadiabatic dynamics in the condensed phase using only classical molecular dynamics trajectories in an extended phase space. Specifically, a semiclassical mapping protocol is used to derive an exact, continuous, Cartesian variable path-integral representation for the canonical partition function of a system in which multiple electronic states are coupled to nuclear degrees of freedom. Building on this exact statistical foundation, multistate ring polymer molecular dynamics methods are developed for the approximate calculation of real-time thermal correlation functions. As a result, the remarkable promise of these multistate ring polymer methods, their successful applications, and their limitations are discussed in detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series: Supporting Data

This dataset consists of soil temperature time series that were used to estimate soil thermal diffusivity and its uncertainty trough the probabilistic modelling approach developed and presented in the article named "Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series" and published in Earth Surface Dynamics. There are two compressed (.zip) files that contains synthetic (Synthetic_soiltemp_Teller.zip) and field (Field_soiltemp_Teller.zip) data. There is one MATLAB file that requires MATLAB to execute but any text editor can open it. The Synthetic_soiltemp_Teller.zip file includes 5 comma-delimited data files (.csv) each of which contains soil temperature time series generated through forward modeling (i.e., heat-conduction process in a heterogeneous medium using an explicit finite difference method) to mimic various types of temperature gradients, trend and fluctuations. These synthetic soil temperatures were used to investigate the impact of different environmental conditions on the uncertainty of thermal diffusivity estimates. The Field_soiltemp_Teller.zip file contains 28 comma-delimited data files (.csv) out of which (a) 27 files includes soil temperature time series recorded from 27 temperature probes located in a site along Teller Road about 40 km northwest of Nome, Alaska (64.72°N, 165.94°W), (b) one includes the name and coordinates of the 27 probes. These field soil temperatures were used to infer soil thermal diffusivity at numerous locations and depths in a discontinuous permafrost environment, and to evaluate the links between the estimated soil thermal diffusivity values and soil physical properties. The comma-delimited data files (.csv) of the synthetic and field soil temperature time series includes date and time (UTC) in the first column and soil temperature from 5 cm below the ground surface to 1.05 m depth (with 5 or 10 cm spacing between sensors) in the other columns. The measurements were acquired every 15 minutes. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Ultrafast thermal modification of strong coupling in an organic microcavity

There is growing interest in using strongly coupled organic microcavities to tune molecular dynamics, including the electronic and vibrational properties of molecules. However, very little attention has been paid to the utility of cavity polaritons as sensors for out-of-equilibrium phenomena, including thermal excitations. Here, we demonstrate that non-resonant infrared excitation of an organic microcavity system induces a transient response in the visible spectral range near the cavity polariton resonances. We show how these optical responses can be understood in terms of ultrafast heating of electrons in the metal cavity mirror, which modifies the effective refractive index and subsequently the strong coupling conditions. The temporal dynamics of the microcavity are strictly determined by carriers in the metal, including the cooling of electrons via electron–phonon coupling and excitation of propagating coherent acoustic modes in the lattice. We rule out multiphoton excitation processes and verify that no real polariton population exists despite their strong transient features. These results suggest the cavity polaritons to be promising as sensitive probes of non-equilibrium phenomena.

36 MATERIALS SCIENCE↗

On the holographic dual of a symmetry operator at finite temperature

Topological symmetry operators of holographic large 𝑁 CFT 𝐷 ’s are dual to dynamical branes in the gravity dual AdS 𝐷+1 . We use this correspondence to establish a dictionary between thermal expectation values of symmetry operators in the Euclidean CFT 𝐷 and the evaluation of gravitational saddles in the presence of a dynamical brane. Expectation values of 0-form symmetry operators in the CFT 𝐷 are then related to branes wrapped on volume minimizing cycles in the bulk, i.e., the Euclidean continuation of a black hole horizon. We illustrate with some representative examples, including gravity in AdS 3 , duality/triality defects in four-dimensional 𝒩 = 4 super Yang-Mills theory, and the dual of R-symmetry operators probing five-dimensional Bogomol’nyi–Prasad–Sommerfield black holes.

Anomalies↗