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At least 577 records · Page 32

Initial Design of SABRE Fueled Molten Salt Experiment Irradiation Vehicle

Molten Salt Reactors (MSRs) are emerging as promising advanced reactor technologies, utilizing molten salts for both fuel and primary cooling. These reactors may offer advantages such as passive safety, enhanced economic viability, and efficient waste reprocessing while operating at high temperatures and low pressures, which leads to increased system efficiency and reduced mechanical stress on containment structures. However, challenges arise from the complex chemistry and high corrosion rates of fueled molten salts, alongside the volatility of certain fission products during irradiation. The accumulation of these fission products can alter the fuel salt chemistry, affecting corrosion potential and radioactive source terms. Therefore, understanding these phenomena under neutron irradiation is essential for future MSR designs. The SABRE (Salt and Actinide Burnup in a Reactor Environment) experiment, currently in conceptual design at Idaho National Laboratory (INL), aims to investigate these challenges by conducting a drop-in capsule experiment in the Advanced Test Reactor (ATR). The primary objectives include achieving a minimum burnup of 2 GWd/MTU and characterizing fission products while studying corrosion behavior in molten salt systems. This innovative experiment will leverage recent advancements in ATR capabilities, allowing for the safe irradiation of molten salts, thereby advancing the understanding and qualification of MSR technology for future nuclear power generation.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Inverse design of equilibrium cluster fluids applied to a physically informed model

Inverse design strategies have proven highly useful for the discovery of interaction potentials that prompt self-assembly of a variety of interesting structures. However, often the optimized particle interactions do not have a direct relationship to experimental systems. In this work, we show that Relative Entropy minimization is able to discover physically meaningful parameter sets for a model interaction built from depletion attraction and electrostatic repulsion that yield self-assembly of size-specific clusters. Here, we then explore the sensitivity of the optimized interaction potentials with respect to deviations in the underlying physical quantities, showing that clustering behavior is largely preserved even as the optimized parameters are perturbed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An Active Detection Scheme for Sensor Spoofing in Grid-tied PV Systems

In this paper an active detection scheme for sensor spoofing (manipulated externally via a cyber attack) in grid-tied PV systems is discussed. The core of the proposed active detection scheme is to introduce a private (secret) watermarking signal into the control inputs of the DC-DC converter and DC-AC inverter stages to detect any malicious spoofing (manipulation) of voltage/current sensor measurements controlling both the DC-DC converter maximum power point tracking (MPPT) stage and the DC-AC inverter of the grid-tied PV system. Several types of possible spoofing mechanisms (attack models) are discussed. The proposed sensor spoofing attack detector system consists of injecting a small magnitude of digital watermarking signal (DWS) and conduct three statistical watermark tests on the reported sensor measurements to determine if a) the proposed system is healthy and operating as expected b) if sensor signals were spoofed (manipulated) externally or c) if a particular sensor is malfunctioning due to a faulty hardware. It is shown via extensive simulations that the proposed DWS approach is robust in detecting malicious external manipulation of sensors controlling the grid tied PV system. A testing platform is currently under development and the experimental results will be discussed in the conference presentation.

Ibrahim, Hasan↗

Activated relaxation in supercooled monodisperse atomic and polymeric WCA fluids: Simulation and ECNLE theory

Here, we combine simulation and Elastically Collective Nonlinear Langevin Equation (ECNLE) theory to study the activated relaxation in monodisperse atomic and polymeric Weeks–Chandler–Andersen (WCA) liquids over a wide range of temperatures and densities in the supercooled regime under isochoric conditions. By employing novel crystal-avoiding simulations, metastable equilibrium dynamics is probed in the absence of complications associated with size polydispersity. Based on a highly accurate structural input from integral equation theory, ECNLE theory is found to describe well the simulated density and temperature dependences of the alpha relaxation time of atomic fluids using a single system-specific parameter, a c , that reflects the nonuniversal relative importance of local cage and collective elastic barriers. For polymer fluids, the explicit dynamical effect of local chain connectivity is modeled at the fundamental dynamic free energy trajectory level based on a different parameter, N c , that quantifies the degree of intramolecular correlation of bonded segment activated barrier hopping. For the flexible chain model studied, a physically intuitive value of N c ≈ 2 results in good agreement between simulation and theory. A direct comparison between atomic and polymeric systems reveals that chain connectivity can speed up activated segmental relaxation due to weakening of equilibrium packing correlations but can slow down relaxation due to local bonding constraints. The empirical thermodynamic scaling idea for the alpha time is found to work well at high densities or temperatures but fails when both density and temperature are low. The rich and subtle behaviors revealed from simulation for atomic and polymeric WCA fluids are all well captured by ECNLE theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural insights into RNA cleavage by a novel family of bacterial RNases

Abstract Processing of RNA is a key regulatory mechanism for all living systems. Escherichia coli protein YicC belongs to the well-conserved YicC family and has been identified as a novel ribonuclease. Here, we report a 2.8-Å-resolution crystal structure of the E. coli YicC apo protein and a 3.2-Å-cryo-EM structure of YicC bound to an RNA substrate. The apo YicC forms a dimer of trimers with a large open channel. In the RNA-bound form, the top trimer of YicC rotates nearly 70° and closes the RNA substrate inside the cavity to form a clamshell-pearl conformation that resembles no other known RNases. The structural information combined with mass spectrometry and biochemical data identified cleavage on the upstream side of an RNA hairpin. Mutagenesis studies demonstrated that the previously uncharacterized domain, DUF1732, is critical in both RNA binding and catalysis. These studies shed light on the mechanism of the previously unexplored YicC RNase family.

Biochemistry & Molecular Biology↗

Zentropy theory for accurate prediction of free energy, volume, and thermal expansion without fitting parameters

Based on statistical mechanics, a macroscopically homogeneous system, i.e., a single phase in the present context, is composed of many independent configurations that the system embraces. The macroscopical properties of the system are determined by the properties and statistical probabilities of those configurations with respect to external conditions. The volume of a single phase is thus the weighted sum of the volumes of all configurations. Consequently, the derivative of the volume to temperature of a single phase depends on both the derivatives of the volumes of every configuration to temperature and the derivatives of their statistical probabilities to temperature, with the latter introducing nonlinear emergent behaviors. It is shown that the derivative of the volume to the temperature of the single phase can be negative, i.e., negative thermal expansion, due to the symmetry-breaking non-ground-state configurations with smaller volumes than that of the ground-state configuration and the rapid increase of the statistical probabilities of the former, and negative thermal expansion can be predicted without fitting parameters from the zentropy theory that combines quantum mechanics and statistical mechanics with the free energy of each configuration predicted from quantum mechanics and the partition function of each configuration calculated from its free energy.

36 MATERIALS SCIENCE↗

Quantum spin helices more stable than the ground state: Onset of helical protection

Topological magnetic structures are promising candidates for resilient information storage. An elementary example is spin helices in one-dimensional easy-plane quantum magnets. To quantify their stability, we numerically implement the stochastic Schrödinger equation and time-dependent perturbation theory for spin chains with fluctuating local magnetic fields. Here, we find two classes of quantum spin helices that can reach and even exceed ground-state stability: spin-current-maximizing helices and, for fine-tuned boundary conditions, the recently discovered “phantom helices.” Beyond that, we show that the helicity itself (left or right rotating) is even more stable. We explain these findings by separated helical sectors and connect them to topological sectors in continuous spin systems. The resulting helical protection mechanism is a promising phenomenon for stabilizing helical quantum structures, e.g., in ultracold atoms and solid-state systems. We also identify a third type of phantom helix in the system.

1-dimensional spin chains↗

Process Anomaly Detection for Sparsely Labeled Events in Nuclear Power Plants

An essential aspect of online monitoring, subtle anomaly detection increases the detection lead time for equipment failure and enables a nuclear power plant (NPP) to mitigate unexpected partial or full outages, resulting in significant cost saving to the plant. Once an anomaly is detected by plant staff, its cause and severity are investigated. Because the vast majority of anomalies require some level of investigation, including some that require time-consuming examination, before they are passed over to the engineering organization for further analysis, plants are often equipped with tools to assist the staff in performing anomaly detection. Those tools operate as a black box and are often based on statistical methods that establish sensor correlations using preconfigured mathematical models and flag correlation deviations as anomalies. Due to the number of anomalies detected at a given NPP on a daily basis, a significant number of flagged anomalies usually await examination for days or weeks. A primary cause of this backlog is that the methods used by the tools generate many false positives. Though this is usually attributed to oversensitive model settings due to very narrow normal operation bands, it can also be associated with the model development being inadequate for the process being monitored, or with missing model inputs that could have explained misclassified positives. The performance of anomaly detection tools impacts their plant acceptance and utilization, especially when the effort to address false positives generated by the tool depletes the value or cost saved by using that tool. Thus, means to advance anomaly detection performance have been investigated by the Department of Energy’s Light Water Reactor Sustainability program. Previous and ongoing efforts have targeted unsupervised machine-learning (ML) methods, which do not require the labeling of any data fed into the ML model. By contrast, in supervised anomaly detection methods, every data point is labeled as either a normal or abnormal process condition, and the model is trained to replicate the classification process. Supervised methods usually outperform unsupervised methods, due to the added value in differentiating normal from anomalous states of the monitored process. An NPP’s corrective action program requires it to track and document, via a dedicated report, the resolution of any issues that occur within the plant. Once created, each report is reviewed by a plant screening committee, and several classifications and decisions are made. Recently, a collaborating NPP developed an artificial intelligence and ML-based classifier to categorize a condition report (CR) into classes that can serve to label the data as normal or anomalous. Applying CRs as labels represents a semi-supervised use case. Semi-supervised ML assumes that labels exist for some data points (i.e., labeled anomalies, in this case) but not for the rest. In this effort, semi-supervised ML methods were used to fuse data from CRs with anomaly detection methods in order to test the hypothesis that partially labeled anomalies would improve the accuracy of the anomaly detection methods. Specifically, two methods were used. The first is the deep Semi-supervised Anomaly Detection (deep SAD) method, which can handle labels ranging from fully unsupervised to fully supervised cases. The second is a newly designed ML method developed specifically for this effort and referred to as the high-order feature (HOF)-based method. To evaluate these two methods in controlled environments, synthetic data generators were developed and used. The first datasets used a spring-mass-damper (SMD) system simulator commonly found in mechanical engineering references. This was used to create two use cases: a one- and a three-mass system. Anomalies were introduced by changing the spring and damper coefficients while the system was actuated by random forces. The second datasets used the commercial Dymola-Modelica software to build a simplified nuclear reactor model. Anomalies were added in the form of corrupted sensor readings and/or control commands. The deep SAD method was tested using the SMD system, while the HOF method was tested using both datasets. Application of the deep SAD semi-supervised ML method demonstrated that labels can generate increased confidence in detecting true anomalies. This helped increase the number of true positives and decrease the number of false negatives—something that would aid in addressing the backlog of possible anomalies. Application of the HOF method demonstrated that labels can aid in down selecting from a candidate set of features to a more optimal subset in order to better differentiate between normal and anomalous conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Adaptive control of wave energy converters

A wave energy capture system deployed in water converts mechanical motion induced by waves in the water to electrical energy. A controller of the wave energy capture system receives input regarding real-time wave conditions in a vicinity of the wave energy capture system. The controller applies a control model to the received input to select a value of a control parameter for the wave energy capture system, where the control model includes a model that has been trained using machine learning to take wave condition data as input and to output control parameter values selected based on the wave condition data in order to increase an amount of energy captured by the wave energy capture system. The controller implements the selected value of the control parameter on the wave energy capture system.

Orona, Alexander J.↗

Fermion Pair Dynamics in Open Quantum Systems

Three-body decay is a rare decay mode observed in a handful of unbound rare isotopes. The angular and energy correlations between emitted nucleons are of particular interest, as they provide invaluable information on the interplay between structure and reaction aspects of the nuclear open quantum system. To study the mechanism of two-nucleon emission, we developed a time-dependent approach that allows us to probe emitted nucleons at long times and large distances. We successfully benchmarked the new method against the Green’s function approach and applied it to low-energy two-proton and two-neutron decays. In particular, we studied the interplay between initial-state nucleon-nucleon correlations and final-state interaction. We demonstrated that the time evolution of the two-nucleon wave function is strongly impacted by the diproton/dineutron dynamics and that the correlations between emitted nucleons provide invaluable information on the dinucleon structure in the initial state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Techno-Economic Implications of Electrical Machine Scaling for Wave Energy Converters: Preprint

The sizing of an electrical machine for a Wave Energy Converter (WEC) can have a substantial impact on the overall sizing, cost, and rating of the device. An electrical generator is typically part of the power take-off (PTO) system, which is the mechanism by which the energy absorbed by the prime mover is transformed into useable electrical. For practically all WECs, the rate of change of actuation is predominantly determined by the wave resource (i.e., the wave height and frequency) and devices will see a sinusoidally varying velocity according to the wave conditions. The same can then be said for both directly and indirectly coupled PTOs with electrical generators. This techno-economic study investigates electrical machine scaling and associated cost implications through core machine design theory, manufacturer data, supporting literature, and the DOE sponsored Reference Model Project (RMP). The RMP was a partnered effort to develop open-source marine energy (ME) point designs as reference models (RMs) to benchmark ME technology performance and costs, methods for design and analysis of ME technologies, estimations for capital costs, operational costs, and levelized costs of energy (LCOE). The results from this study show torque is directly related to (1) the physical size of the machine required to increase the airgap sheer stresses, (2) the amount of active material, (3) the support structure, (4) bearing size and rating, and (5) offshore cable rating, all of which have a significant effect on overall system costs in terms of both CAPEX and OPEX. This paper aims to be a critical benchmark in helping determine an “optimal” nameplate rating for wave energy devices and their associated PTO. With an optimized rating and sizing process, WEC costs can be reduced, and overall performance can be improved.

cables↗

Techno-Economic Implications of Electrical Machine Scaling for Wave Energy Converters

The sizing of an electrical machine for a Wave Energy Converter (WEC) can have a substantial impact on the overall sizing, cost, and rating of the device. An electrical generator is typically part of the power take-off (PTO) system, which is the mechanism by which the energy absorbed by the prime mover is transformed into useable electrical. For practically all WECs, the rate of change of actuation is predominantly determined by the wave resource (i.e., the wave height and frequency) and devices will see a sinusoidally varying velocity according to the wave conditions. The same can then be said for both directly and indirectly coupled PTOs with electrical generators. This techno-economic study investigates electrical machine scaling and associated cost implications through core machine design theory, manufacturer data, supporting literature, and the DOE sponsored Reference Model Project (RMP). The RMP was a partnered effort to develop open-source marine energy (ME) point designs as reference models (RMs) to benchmark ME technology performance and costs, methods for design and analysis of ME technologies, estimations for capital costs, operational costs, and levelized costs of energy (LCOE). The results from this study show torque is directly related to (1) the physical size of the machine required to increase the airgap sheer stresses, (2) the amount of active material, (3) the support structure, (4) bearing size and rating, and (5) offshore cable rating, all of which have a significant effect on overall system costs in terms of both CAPEX and OPEX. This paper aims to be a critical benchmark in helping determine an “optimal” nameplate rating for wave energy devices and their associated PTO. With an optimized rating and sizing process, WEC costs can be reduced, and overall performance can be improved.

cables↗

An uncharacteristically low-potential flavin governs the energy landscape of electron bifurcation

Significance Nature has long been an inspiration for materials design, as it exemplifies exquisite control of both matter and energy. Electron bifurcation, a mechanism employed in biological systems to drive thermodynamically unfavorable and energetically challenging chemical reactions, is one such example. A key feature of bifurcating enzymes is the ability of a single redox cofactor to distribute a pair of electrons across two spatially separated electron transfer pathways. Here, we report on the empirical determination of both the one-electron potential and two-electron potential of the bifurcating flavin cofactor in the NADH-dependent ferredoxin-NADP + oxidoreductase I (NfnSL) enzyme. Insights arising from the defined energy landscape of this bifurcation site may underlie the design of synthetic catalysts capable of generating high-energy intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Self-assembled reconfigurable pump architectures via magnetic colloidal swarms

Self-assembled swarms of interactive active units, which are adaptive and dynamically reconfigurable to accommodate different functionalities, represent a promising platform for the development of next-generation robotics. Here, we utilize the emergent collective behavior of active magnetic colloids confined in quasi-two-dimensional arrays of overlapping wells to demonstrate the self-organization of a colloidal swarm into a dynamic pump architecture capable of controlled transport of passive cargo particles. This dynamic architecture provides a global unidirectional looping flow pattern along the entire length of the system. We show that the flow direction of the dynamic swarm-based pump can be externally controlled by a phase shift of a driving magnetic field energizing the swarm. The experimental observations are supported by computational modeling based on phenomenological coarse-grained particle dynamics coupled to shallow-water Navier-Stokes hydrodynamics. In conclusion, our findings demonstrate how the emergent collective behavior of a swarm can be orchestrated into a desired functionality by exploiting the interplay between activity and confinement potentials.

36 MATERIALS SCIENCE↗

Evaluation of Anisotropic Magnetoresistive (AMR) Sensors for a Magnetic Field Scanning System for SRF Cavities

One of the significant causes of residual losses in superconducting radio-frequency (SRF) cavities is trapped magnetic flux. The flux trapping mechanism depends on many factors that include cool-down conditions, surface preparation techniques, and ambient magnetic field orientation. Suitable diagnostic tools are not yet available to quantitatively correlate such factors’ effect on the flux trapping mechanism. A magnetic field scanning system (MFSS) consisting of AMR sensors, fluxgate magnetometers, or Hall probes is recently commissioned to scan the local magnetic field of trapped vortices around 1.3 GHz single-cell SRF cavities. In this contribution, we will present results from sensitivity calibration and the first tests of AMR sensors in the MFSS.

Parajuli, I. P.↗

Detecting Quantum Critical Points of Correlated Systems by Quantum Convolutional Neural Network Using Data from Variational Quantum Eigensolver

Machine learning has been applied to a wide variety of models, from classical statistical mechanics to quantum strongly correlated systems, for classifying phase transitions. The recently proposed quantum convolutional neural network (QCNN) provides a new framework for using quantum circuits instead of classical neural networks as the backbone of classification methods. We present the results from training the QCNN by the wavefunctions of the variational quantum eigensolver for the one-dimensional transverse field Ising model (TFIM). We demonstrate that the QCNN identifies wavefunctions corresponding to the paramagnetic and ferromagnetic phases of the TFIM with reasonable accuracy. The QCNN can be trained to predict the corresponding ‘phase’ of wavefunctions around the putative quantum critical point even though it is trained by wavefunctions far away. The paper provides a basis for exploiting the QCNN to identify the quantum critical point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Techno-Economic Implications of Electrical Machine Scaling for Wave Energy Converters

The sizing of an electrical machine for a Wave Energy Converter (WEC) can have a substantial impact on the overall sizing, cost, and rating of the device. An electrical generator is typically part of the power take-off system, which is the mechanism by which the energy absorbed by the prime mover is transformed into usable electrical energy. For practically all WECs, the rate of change of actuation is predominantly determined by the wave resource (i.e., the wave height and frequency), and devices will see a sinusoidal varying velocity according to the wave conditions. The same can then be said for both directly and indirectly coupled power take-offs with electrical generators. This techno-economic study investigates electrical machine scaling and associated cost implications through core machine design theory, manufacturer data, supporting literature, and the Reference Model Project sponsored by the U.S. Department of Energy. The Reference Model Project was a partnered effort to develop open-source marine energy point designs as reference models to benchmark marine energy technology performance and costs, methods for design and analysis of marine energy technologies, estimations for capital costs, operational costs, and levelized cost of energy. The results from this study show torque is directly related to (1) the physical size of the machine required to increase the air-gap sheer stresses, (2)the amount of active material, (3) the support structure, (4) bearing size and rating, and (5) offshore cable rating, all of which have a significant effect on overall system costs in terms of both capital and operational expenditures. This paper aims to be a critical benchmark in helping determine an "optimal" nameplate rating for wave energy devices and their associated power take-offs. With an optimized rating and sizing process, WEC costs can be reduced and overall performance can be improved.

cables↗

Reaction-diffusive dynamics of number-conserving dissipative quantum state preparation

The use of dissipation for the controlled creation of nontrivial quantum many-body correlated states is of much fundamental and practical interest. What is the result of imposing number conservation, which, in closed system, gives rise to diffusive spreading? For this work, we investigate this question for a paradigmatic model of a two-band system, with dissipative dynamics aiming to empty one band and to populate the other, which had been introduced before for the dissipative stabilization of topological states. Going beyond the mean-field treatment of the dissipative dynamics, we demonstrate the emergence of a diffusive regime for the particle and hole density modes at intermediate length- and timescales, which, interestingly, can only be excited in nonlinear response to external fields. We also identify processes that limit the diffusive behavior of this mode at the longest length- and timescales. Strikingly, we find that these processes lead to a reaction-diffusion dynamics governed by the Fisher-Kolmogorov-Petrovsky-Piskunov equation, making the designed dark state unstable towards a state with a finite particle and hole density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗