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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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Machine Learning‐Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands
Abstract The challenge of targeting RNA with small molecules necessitates a better understanding of RNA–ligand interaction mechanisms. However, the dynamic nature of nucleic acids, their ligand‐induced stabilization, and how conformational changes influence gene expression pose significant difficulties for experimental investigation. This work employs a combination of computational and experimental methods to address these challenges. By integrating structure‐informed design, crystallography, and machine learning‐augmented all‐atom molecular dynamics simulations (MD), we synthesized, biophysically and biochemically characterized, and studied the dissociation of a library of small molecule activators of the 5‐aminoimidazole–4–carboxamide ribonucleotide triphosphate (ZTP) riboswitch, a ligand‐binding RNA motif that regulates bacterial gene expression. We uncovered key interaction mechanisms, revealing valuable insights into the role of ligand binding kinetics on riboswitch activation. Further, we established that ligand on‐rates determine activation potency as opposed to binding affinity and elucidated RNA structural differences, which provide mechanistic insights into the interplay of RNA structure on riboswitch activation.
Connected and disconnected sea partons from the CT18 parametrization of PDFs
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Discontinuous Segregation Patterning across Disconnections
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Exploring the interplay between disconnections and grain boundary facet junctions
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Disconnection mechanics: Segregation, Stability, and mobility
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Organic matter transformations are disconnected between surface water and the hyporheic zone
Abstract. Biochemical transformations of organic matter (OM) are a primary driver of river corridor biogeochemistry, thereby modulating ecosystem processes at local to global scales. OM transformations are driven by diverse biotic and abiotic processes, but we lack knowledge of how the diversity of those processes varies across river corridors and across surface and subsurface components of river corridors. To fill this gap we quantified the number of putative biotic and abiotic transformations of organic molecules across diverse river corridors using ultra-high-resolution mass spectrometry. The number of unique transformations is used here as a proxy for the diversity of biochemical processes underlying observed profiles of organic molecules. For this, we use public data spanning the contiguous United States (ConUS) from the Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems (WHONDRS) consortium. Our results show that surface water OM had more biotic and abiotic transformations than OM from shallow hyporheic zone sediments (1–3 cm depth). We observed substantially more biotic than abiotic transformations, and the numbers of biotic and abiotic transformations were highly correlated with each other. We found no relationship between the number of transformations in surface water and sediments and no meaningful relationships with latitude, longitude, or climate. We also found that the composition of transformations in sediments was not linked with transformation composition in adjacent surface waters. We infer that OM transformations represented in surface water are an integrated signal of diverse processes occurring throughout the upstream catchment. In contrast, OM transformations in sediments likely reflect a narrower range of processes within the sampled volume. This indicates decoupling between the processes influencing surface water and sediment OM, despite the potential for hydrologic exchange to homogenize OM. We infer that the processes influencing OM transformations and the scales at which they operate diverge between surface water and sediments.
Mooring Connector for Unmanned FOWT Platform Hook-Up and Disconnection
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Stringy ER = EPR
The ER = EPR correspondence relates a superposition of entangled, disconnected spacetimes to a connected spacetime with an Einstein-Rosen bridge. We construct examples in which both sides may be described by weakly-coupled string theory. The relation between them is given by a Lorentzian continuation of the FZZ duality of the two-dimensional Euclidean black hole CFT in one example, and in another example by continuation of a similar duality that we propose for the asymptotic Euclidean AdS 3 black hole. This gives a microscopic understanding of ER = EPR: one has a worldsheet duality between string theory in a connected, eternal black hole, and in a superposition of disconnected geometries in an entangled state. The disconnected description includes a condensate of entangled folded strings emanating from a strong-coupling region in place of a bifurcation point. Our construction relies on a Lorentzian interpretation of Euclidean time winding operators via angular quantization, as well as some lesser known worldsheet string theories, such as perturbation theory around a thermofield-double state, which we define using Schwinger-Keldysh contours in target space.
Use of non-contact voltmeter to quantify potential induced degradation in CdTe modules
Potential induced degradation (PID) is a significant reliability issue for photovoltaic modules in the field. Conventionally, to detect the PID-affected modules, all the modules in a string are individually disconnected and measured using I-V (current–voltage) tracers. It is extremely time-consuming, expensive and unsafe (if the module connectors are field aged) approach. In our approach, we aim detecting the PID-affected modules quickly, inexpensively and safely without disconnecting individual modules in the string. In this study, contactless electrostatic voltmeter’s (ESV) strength was explored to detect the PID-affected cadmium telluride (CdTe) modules in a string. These contactless measurements on high-voltage PV strings could make this technique unique and preferable to detect PID-affected modules in a string compared to the I-V curve method. In this work, a CdTe module was stressed for PID using the Aluminum (Al) foil method in a walk-in environmental chamber, which resulted in a reduction of module's peak current (I max ), peak voltage (Vmax), and fill factor (FF), and hence power (Pmax). Outdoor light I-V, EL, and ESV measurements were performed pre- and post-PID to determine the effectiveness of the non-contact ESV technique. Further, the ESV technique successfully detected the change in V max , and hence Pmax, compared to the pre-and post-PID conditions. A difference of less than 2% was observed in the results of the non-contact and non-interruptive method compared to the conventionally used interruptive voltmeter or I-V tracer method. This technique and the test results demonstrate a significant promise to identify poor-performing modules in PV string without disconnection of individual modules in the string.
Interstitial hydrogen enhances the mobility of some grain boundaries in tungsten
Segregation of interstitials at a grain boundary (GB) is known to generally lower its mobility. This phenomenon, called 'solute-drag', has important ramifications on the process of recrystallization and microstructural evolution. Here, we present predictions from molecular dynamics (MD) simulations which demonstrate that interstitial hydrogen in tungsten can in fact increase the mobility of some GBs which exhibit shear coupling. Assuming a disconnection-based mechanism, activation energies and pre-factors for disconnection nucleation are predicted from simulations of shear-coupled motion. In GBs where enhanced mobility is predicted, interstitial H reduces both the activation energy and the pre-factor for disconnection nucleation, thus effectively increasing the mobility. For GBs with diminished mobility, MD predicts that presence of interstitial H reduces the pre-factor and, in some cases, increases the activation energy. The reduction in the activation energy inferred from MD simulations are confirmed by nudged elastic band calculations. Temperature-dependent structural transitions are observed for some GBs, and the effect of interstitial H is found to change with the changes in structure. The effect of interstitial H is predicted to be complex and highly variable, providing some plausible explanations for experimental observations on the recrystallization of tungsten in presence of H-loaded plasma.
Spread Spectrum Time Domain Reflectivity for String Monitoring in PV Power Plants (Final Technical Report)
This final report describes the methods and results of applying Spread Spectrum Time Domain Reflectivity (SSTDR) for String Monitoring in PV Power Plants for DE-EE0008169. The project created a new system for both detecting and locating electrical faults in photovoltaic systems. In this work, we address photovoltaic electric faults that are both common and costly. Based on interviews with photovoltaic power plant owners, operators, and maintainers, three types of faults are common and of significant interest: disconnects, ground faults, and arc faults. Disconnects can originate from many sources. They are often due to everyday events, such as lawnmowing (accidentally running over a cable), animals eating through the cables, or degradation that occurs over time due to corrosion or general degradation. Ground faults occur when the cables (for example, due to frayed insolation) connect to the ground, relaying current into the ground. These faults are particularly problematic since the ground faults are often intermittent. That is, ground faults commonly appear during rain storms due to a change in soil conductivity and then disappear when the rain ends. This makes the ground fault difficult to find because while current systems can detect the overall change in voltage and current associated with a ground fault, technicians are necessary to locate the fault. As a result, ground faults may disappear before the technician arrives at the power plant. Hence, locating and fixing ground faults often require multiple trips. We also study arc faults, which can result when nearby conductors create an arc of electrical current through the air. While less common, arc faults can be extremely dangerous. The energetic electrical arc can cause fires and destroy equipment, costing significant damage. Overall all three types of faults cost owners and operators money, either from the destruction of equipment or from technician time. Furthermore, while devices exist for detecting ground faults (ground fault circuit interrupters) and arc faults (arc fault circuit interrupter), these systems only search patterns of electrical current that correspond to each fault. This information cannot be used to locate the fault. In addition, these protection systems experience nuisance trips due to nearby electromagnetic interference, such as from a lawn mower or other motors that produce significant amounts of electromagnetic radiation. Hence, the overall goal of this project is to create an SSTDR tool that provides photovoltaic power plants with more reliable fault detection in addition to the localization of faults. SSTDR works by transmitting electrical signals into the photovoltaic string. Those signals reflect from impedance discontinuities (i.e., disconnects, ground faults, and arc faults). These faults are then detected by measuring the presence of a reflection at the SSTDR and can be located by identifying the location of that reflection in time. In addition, unlike current protection systems, these systems do not experience nuisance trips since their low amplitude, high frequency, and coded signal can by analyzed without interference from the regular operational voltage on the photovoltaic string.
EMP Testing of NAE Magnetic Motor Starters
Sandia National Laboratories (SNL) performed a high-altitude nuclear electromagnetic pulse (HEMP) critical generation station component vulnerability test campaign with a focus on high-frequency, conducted early-time (E1) HEMP for the Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER). This report provides vulnerability test results to investigate component response and/or damage thresholds to reasonable HEMP threat levels that will help to inform site vulnerability assessments, mitigation planning, and modeling calibrations. This work details testing of North American Electric (NAE) magnetic motor starters to determine the effects of conducted HEMP environments. Motor starters are the control elements that provide power to motors throughout a generating plant; a starter going offline would cause loss of power to critical pumps and compressors, which could lead to component damage or unplanned plant outages. Additionally, failed starters would be unable to support plant startup. Six industrial motor starters were tested: two 2 horsepower (HP) starters with breaker disconnects and typical protection equipment, two 20 HP starters with breaker disconnects, and two 20 HP starters with fused disconnects. Each starter was placed in a circuit with a generator and inductive motor matching the starter rating. The conducted EMP insult was injected on the power cables passing through the motor starter, with separate tests for the generator and motor sides of the starter.
Holographic measurement in CFT thermofield doubles
We extend the results of arXiv:2209.12903 by studying local projective measurements performed on subregions of two copies of a CFT 2 in the thermofield double state and investigating their consequences on the bulk double-sided black hole holographic dual. We focus on CFTs defined on an infinite line and consider measurements of both finite and semi-infinite subregions. In the former case, the connectivity of the bulk spacetime is preserved after the measurement. In the latter case, the measurement of two semi-infinite intervals in one CFT or of one semi-infinite interval in each CFT can destroy the Einstein-Rosen bridge and disconnect the bulk dual spacetime. In particular, we find that a transition between a connected and disconnected phase occurs depending on the relative size of the measured and unmeasured subregions and on the specific Cardy state the measured subregions are projected on. We identify this phase transition as an entangled/disentangled phase transition of the dual CFT system by computing the post-measurement holographic entanglement entropy between the two CFTs. We also find that bulk information encoded in one CFT in the absence of measurement can sometimes be reconstructed from the other CFT when a measurement is performed, or can be erased by the measurement. Finally, we show that a purely CFT calculation of the Renyi entropy using the replica trick yields results compatible with those obtained in our bulk analysis.
Consumer safety-oriented scheduling of rotating power outages during heat waves
Extreme heat events have widespread effects on power systems, reducing available generation capacity, limiting transmission capabilities, and causing unusual demand patterns on the consumer side. As these combined effects expose bulk transmission systems to potential large-scale blackouts, utilities may be required to schedule and apply rotating outages, by temporarily and alternately disconnecting distribution substations to reduce overload. However, utilities lack mechanisms to inform these events, exacerbating the negative effects of heat waves on affected communities. This paper introduces a novel framework for scheduling rotating outages during heat waves while considering impacts on consumers’ safety. Instead of random sequential load shedding, we propose a methodology to rotate power outages considering a metric that quantifies the indoor overheating risk of groups of consumers during a power outage. The overheating risk is derived from a detailed building simulation using CityBES, where the buildings are modeled based on available data—use type, year built, floor area, number of stories, location—while presence of air conditioning and occupancy are calibrated from smart meter data. Based on the metric, an algorithm to schedule the rotating outages is applied to prioritize feeders for disconnection at each hour according to their overheating risk to meet a utility load reduction target. Applied to two substations and seven feeders in the Portland General Electric territory, the results show that this approach effectively leads to the lowest overheating risk during the resulting outage schedules, with an average 10.1% lower overheating compared to uninformed schedules.
In situ observation of the atomic shuffles during the {${{11}}\bar{{{2}}}{{1}}$} twinning in hexagonal close-packed rhenium
Twinning, on par with dislocations, is critically required in plastic deformation of hexagonal close-packed crystals at low temperatures. In contrast to that in cubic-structured crystals, twinning in hexagonal close-packed crystals requires atomic shuffles in addition to shear. Though the twinning shear that is carried by twinning dislocations has been captured for decades, direct experimental observation of the atomic shuffles, especially when the shuffling mode is not unique and does not confine to the plane of shear, remains a formidable challenge to date. Here, by using in-situ transmission electron microscopy, we directly capture the atomic mechanism of the {${{11}}\bar{{{2}}}{{1}}$} twinning in hexagonal close packed rhenium nanocrystals. Results show that the {${{11}}\bar{{{2}}}{{1}}$} twinning is dominated by the ($\textbf{b}$ 1/2 , h 1/2 ) twinning disconnections. In contrast to conventional expectations, the atomic shuffles accompanying the twinning disconnections proceed on alternative basal planes along 1/6 {${{1\bar1}}{{{0}}}{{0}}$} , which may be attributed to the free surface in nanocrystal samples, leading to a lack of mirror symmetry across the {${{11}}\bar{{{2}}}{{1}}$} twin boundary.
Stochastic Microgrid Scheduling With Chance‐Constrained Resilience Consideration
Traditionally, it is assumed that microgrids transition seamlessly from grid‐connected operation to islanded mode in the event of sudden main grid outages. In reality, the islanding process, especially unintentional islanding, is rarely seamless. Instead, it is subject to voltage and frequency fluctuations caused by the instantaneous disconnection of the point of common coupling (PCC) switch, variations in loads and renewable generation output and even the protection tripping of distributed energy resources (DERs). To mitigate these fluctuations and facilitate a smooth islanding process, we propose a stochastic microgrid scheduling model that incorporates chance‐constrained resilience measures. Specifically, the resilience measure is defined as the probability of successful islanding (PSI), that is, the probability that a microgrid can mitigate the generation‐demand imbalance caused by the disconnection of the PCC switch, variations in load and renewable generation and DER tripping. This measure is modelled using chance constraints. Unlike existing reliability and resilience indices, which typically neglect the possibility of microgrid/DER failure under extreme events and assume their survival while primarily focussing on reducing impact duration or magnitude, the proposed PSI‐based framework explicitly addresses microgrid and DER survival during the islanding transition. The formulated nonlinear chance constraints are approximated using a multiinterval approach and equivalently represented as a mixed‐integer linear programming (MILP) formulation. Case study results validate the proposed method, showing that the PSI estimation error is reduced to less than 8%, compared to approximately 28% with existing methods. Various sensitivity analyses on the DER tripping rate and PSI settings were performed to validate the robustness of the proposed method. In particular, the necessity of accounting for DER tripping in the PSI calculation was demonstrated.