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At least 577 records · Page 32

Controlling Symmetry Breaking Charge Transfer in BODIPY Pairs

Symmetry breaking charge transfer (SBCT) is a process in which a pair of identical chromophores absorb a photon and use its energy to transfer an electron from one chromophore to the other, breaking the symmetry of the chromophore pair. This excited state phenomenon is observed in photosynthetic organisms where it enables efficient formation of separated charges that ultimately catalyze biosynthesis. SBCT has also been proposed as a means for developing photovoltaics and photocatalytic systems that operate with minimal energy loss. It is known that SBCT in both biological and artificial systems is in part made possible by the local environment in which it occurs, which can move to stabilize the asymmetric SBCT state. However, how environmental degrees of freedom act in concert with steric and structural constraints placed on a chromophore pair to dictate its ability to generate long-lived charge pairs via SBCT remain open topics of investigation. In this work we compare a broad series of dipyrrin dimers that are linked by distinct bridging groups to discern how the spatial separation and mutual orientation of linked chromophores and the structural flexibility of their linker each impact SBCT efficiency. Across this material set, we observe a general trend that SBCT is accelerated as the spatial separation between dimer chromophores decreases, consistent with the expectation that the electronic coupling between these units varies exponentially with their separation. However, one key observation is that the rate of charge recombination following SBCT was found to slow with decreasing interchromophore separation, rather than speed up. This stems from an enhancement of the dimers’ structural rigidity due to increasing steric repulsion as the length of their linker shrinks. This rigidity further inhibits charge recombination in systems where symmetry has already enforced zero HOMO-LUMO overlap. Additionally, for the forward transfer the active torsion is shown to increase LUMO-LUMO coupling, allowing for faster SBCT within bridging groups. Further, by understanding trends for how rates of SBCT and charge recombination depend on a dimer’s internal structure and their environment, we identify design guidelines for creating artificial systems for driving sustained light-induced charge separation. Such systems can find application in solar energy technologies and photocatalytic applications but can serve as a model for light-induced charge separation in biological systems.

14 SOLAR ENERGY↗

Algorithm-guided experimentation for autonomous AI systems in self-driving laboratories

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE↗

Quantum algorithms from fluctuation theorems: Thermal-state preparation

Fluctuation theorems provide a correspondence between properties of quantum systems in thermal equilibrium and a work distribution arising in a non-equilibrium process that connects two quantum systems with Hamiltonians H 0 and H 1 = H 0 + V. Building upon these theorems, we present a quantum algorithm to prepare a purification of the thermal state of H 1 at inverse temperature β ≥ 0 starting from a purification of the thermal state of H 0 . The complexity of the quantum algorithm, given by the number of uses of certain unitaries, is $\mathcal{O}$ (e β(ΔA - w l )/2 ), where ΔA is the free-energy difference between H 1 and H 0 , and w l is a work cutoff that depends on the properties of the work distribution and the approximation error ϵ > 0. If the non-equilibrium process is trivial, this complexity is exponential i β∥V∥, where ∥V∥ is the spectral norm of V. This represents a significant improvement of prior quantum algorithms that have complexity exponential in β∥H 1 ∥ in the regime where ∥V∥$\ll$ ∥H 1 ∥. The dependence of the complexity in ϵ varies according to the structure of the quantum systems. It can be exponential in 1/ϵ in general, but we show it to be sublinear in 1/ϵ if H 0 and H 1 commute, or polynomial in 1/ϵ if H 0 and H 1 are local spin systems. The possibility of applying a unitary that drives the system out of equilibrium allows one to increase the value of w l and improve the complexity even further. To this end, we analyze the complexity for preparing the thermal state of the transverse field Ising model using different non-equilibrium unitary processes and see significant complexity improvements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Chain friction system gives positive, reversible drive

By cementing a strip of an elastomer to the smooth metal rim of the pulley and neoprene covered idlers providing suitable tension to the chain around the pulley, a positive reversible drive is accomplished more quietly and with less vibration.

Davidsen, J. S.↗

Systems Engineering and Technology Considerations of a Mars Ascent Vehicle

A Mars Ascent Vehicle (MAV) systems engineering study is underway to define the driving requirements, system architecture, major risks, and required technology developments to support the launch of a rock core sample to a specified delivery orbit for later retrieval and return to Earth. The proposed MAV would essentially be a small-scale launch vehicle, the first of its kind to be launched autonomously from another planet. The MAV would be a flight element of the proposed Mars Sample Return (MSR) campaign architecture, which currently assumes a 2018 launch of the sample caching mission and a 2024 (Earth) launch date of the MAV and lander, with arrival on Mars in 2025. After 9 months on the surface the MAV would be erected and launched to a specified delivery orbit. In the delivery orbit it would release its payload, a 5 kg sphere containing the rock core sample. An orbiter would rendezvous and capture the payload, returning it to Earth a year later.

entry, descent, and landing (EDL)↗

Motor and drive arrangement for refrigeration system

A heat exchanger system includes a heat exchanger coil circulating a first heat transfer fluid therethrough, and a fan at least partially surrounded by the heat exchanger coil to urge a flow of air through the heat exchanger coil to dissipate thermal energy from the first heat transfer fluid. A brushless direct current fan motor is located the fan to urge rotation of the fan and an ancillary electrical component operably connected to the heat exchanger system and electrically isolated from the first heat transfer fluid.

Feng, Yinshan↗

Experimental Investigation of a Direct-drive Hall Thruster and Solar Array System at Power Levels up to 10 kW

As NASA considers future exploration missions, high-power solar-electric propulsion (SEP) plays a prominent role in achieving many mission goals. Studies of high-power SEP systems (i.e. tens to hundreds of kilowatts) suggest that significant mass savings may be realized by implementing a direct-drive power system, so NASA recently established the National Direct-Drive Testbed to examine technical issues identified by previous investigations. The testbed includes a 12-kW solar array and power control station designed to power single and multiple Hall thrusters over a wide range of voltages and currents. In this paper, single Hall thruster operation directly from solar array output at discharge voltages of 200 to 450 V and discharge powers of 1 to 10 kW is reported. Hall thruster control and operation is shown to be simple and no different than for operation on conventional power supplies. Thruster and power system electrical oscillations were investigated over a large range of operating conditions and with different filter capacitances. Thruster oscillations were the same as for conventional power supplies, did not adversely affect solar array operation, and were independent of filter capacitance from 8 to 80 ?F. Solar array current and voltage oscillations were very small compared to their mean values and showed a modest dependence on capacitor size. No instabilities or anomalous behavior were observed in the thruster or power system at any operating condition investigated, including near and at the array peak power point. Thruster startup using the anode propellant flow as the power 'switch' was shown to be simple and reliable with system transients mitigated by the proper selection of filter capacitance size. Shutdown via cutoff of propellant flow was also demonstrated. A simple electrical circuit model was developed and is shown to have good agreement with the experimental data.

Snyder, John S.↗

High-Efficiency Nested Hall Thrusters for Robotic Solar System Exploration

This work describes the scaling and design attributes of Nested Hall Thrusters (NHT) with extremely large operational envelopes, including a wide range of throttleability in power and specific impulse at high efficiency (>50%). NHTs have the potential to provide the game changing performance, powerprocessing capabilities, and cost effectiveness required to enable missions that cannot otherwise be accomplished. NHTs were first identified in the electric propulsion community as a path to 100- kW class thrusters for human missions. This study aimed to identify the performance capabilities NHTs can provide for NASA robotic and human missions, with an emphasis on 10-kW class thrusters well-suited for robotic exploration. A key outcome of this work has been the identification of NHTs as nearly constant-efficiency devices over large power throttling ratios, especially in direct-drive power systems. NHT systems sized for robotic solar system exploration are predicted to be capable of high-efficiency operation over nearly their entire power throttling range. A traditional Annular Hall Thruster (AHT) consists of a single annular discharge chamber where the propellant is ionized and accelerated. In an NHT, multiple annular channels are concentrically stacked. The channels can be operated in unison or individually depending on the available power or required performance. When throttling an AHT, performance must be sacrificed since a single channel cannot satisfy the diverse design attributes needed to maintain high thrust efficiency. NHTs can satisfy these requirements by varying which channels are operated and thereby offer significant benefits in terms of thruster performance, especially under deep power throttling conditions where the efficiency of an AHT suffers since a single channel can only operate efficiently (>50%) over a narrow power throttling ratio (3:1). Designs for 10-kW class NHTs were developed and compared with AHT systems. Power processing systems were considered using either traditional Power Processing Units (PPU) or Direct Drive Units (DDU). In a PPU-based system, power from the solar arrays is transformed from the low voltage of the arrays to the high voltage needed by the thruster. In a DDU-based system, power from the solar arrays is fed to the thruster without conversion. DDU-based systems are attractive for their simplicity since they eliminate the most complex and expensive part of the propulsion system. The results point to the strong potential of NHTs operating with either PPUs or DDUs to benefit robotic and human missions through their unprecedented power and specific impulse throttling capabilities. NHTs coupled to traditional PPUs are predicted to offer high-efficiency (>50%) power throttling ratios 320% greater than present capabilities, while NHTs with direct-drive power systems (DDU) could exceed existing capabilities by 340%. Because the NHT-DDU approach is implicitly low-cost, NHT-DDU technology has the potential to radically reduce the cost of SEP-enabled NASA missions while simultaneously enabling unprecedented performance capability.

Hofer, Richard R.↗

Nonlinear Whirl Response of a High-Speed Seal Test Rotor With Marginal and Extended Squeeze-Film Dampers

Synchronous and nonsynchronous whirl response analysis of a double overhung, high-speed seal test rotor with ball bearings supported in 5.84- and 12.7-mm-long, un-centered squeeze-film oil dampers is presented. Test performance with the original damper of length 5.84 mm was marginal, with nonsynchronous whirling at the overhung seal test disk and high amplitude synchronous response above 32,000 rpm near the drive spline section occurring. A system critical speed analysis of the drive system and the high-speed seal test rotor indicated that the first two critical speeds are associated with the seal test rotor. Nonlinear synchronous unbalance and time transient whirl studies were conducted on the seal test rotor with the original and extended damper lengths. With the original damper design, the nonlinear synchronous response showed that unbalance could cause damper lockup at 33,000 rpm. Alford cross-coupling forces were also included at the overhung seal test disk for the whirl analysis. Sub-synchronous whirling at the seal test disk was observed in the nonlinear time transient analysis. With the extended damper length of 12.7 mm, the sub-synchronous motion was eliminated and the rotor unbalance response was acceptable to 45,000 rpm with moderate rotor unbalance. However, with high rotor unbalance, damper lockup could still occur at 33,000 rpm, even with the extended squeeze-film dampers. Therefore, the test rotor must be reasonably balanced in order for the un-centered dampers to be effective.

Proctor, Margaret P.↗

A real-time, portable, microcomputer-based jet engine simulator

Modern piloted flight simulators require detailed models of many aircraft components, such as the airframe, propulsion system, flight deck controls and instrumentation, as well as motion drive and visual display systems. The amount of computing power necessary to implement these systems can exceed that offered by dedicated mainframe computers. One approach to this problem is through the use of distributed computing, where parts of the simulation are assigned to computing subsystems, such as microcomputers. One such subsystem, such as microcomputers. One such subsystem, a real-time, portable, microcomputer-based jet engine simulator, is described in this paper. The simulator will be used at the NASA Ames Vertical Motion Simulator facility to perform calculations previously done on the facility's mainframe computer. The mainframe will continue to do all other system calculations and will interface to the engine simulator through analog I/0. The engine simulator hardware includes a 16-bit microcomputer and floating-point coprocessor. There is an 8 channel analog input board and an 8 channel analog output board. A model of a small turboshaft engine/control is coded in floating-point FORTRAN. The FORTRAN code and a data monitoring program run under the control of an assembly language real-time executive. The monitoring program allows the user to isplay and/or modify simulator variables on-line through a data terminal. A dual disk drive system is used for mass storage of programs and data. The CP/M-86 operating system provides file management and overall system control. The frame time for the simulator is 30 milliseconds, which includes all analog I/0 operations.

Blech, R. A.↗

Reassessing Double-Ended Guillotine Break Requirements: Evidence-Based Analysis of Regulatory Assumptions After Five Decades of Nuclear Operation

After five decades of nuclear power operation encompassing more than 20,000 reactor-years across 35 countries and 647 reactors, zero double-ended guillotine breaks (DEGBs) have been documented in commercial reactor coolant systems—despite DEGB being the fundamental design-basis assumption driving Emergency Core Cooling System (ECCS) sizing, structural protection requirements, and containment design specifications. This report examines the basis for DEGB requirements in nuclear power plant design. The DEGB postulate assumes the instantaneous, complete circumferential severance of the largest diameter pipes in reactor coolant systems, driving major design requirements under 10 Code of Federal Regulations 50.46, General Design Criterion 4 and containment design specifications. The United States (4,880 reactor-years) and France (2,505 reactor-years) contribute the largest operational datasets. Probabilistic assessments estimate direct DEGB occurrence probabilities with extremely low event frequencies, far below the 10-5/reactor-year thresholds typically used to define non-credible events in nuclear-safety analyses; i.e., events with probability this low fall into beyond-design-basis events. Current material-science knowledge demonstrates that the ductile steel materials used in nuclear piping systems exhibit stable crack-growth behavior fundamentally incompatible with instantaneous severance. International regulatory experience, particularly Germany’s comprehensive break-preclusion implementation, and successful leak-before-break (LBB) applications in almost all of U.S. pressurized water reactor units validate that alternatives can maintain safety performance while reducing economic burden. Current DEGB protection systems impose estimated lifetime costs of hundreds of millions of dollars per unit, over the life of a plant across the nuclear industry (including ongoing costs), representing substantial resource allocation toward scenarios with extremely low probability. Although this report acknowledges uncertainties regarding long-term aging effects, potential synergistic degradation mechanisms, and site-specific seismic considerations that warrant continued evaluation as regulatory policy evolves, there remains no documented evidence that a DEGB has occurred as a consequence of the conditions or mechanisms described in this report. This report acknowledges the Nuclear Regulatory Commission’s (NRC’s) recent efforts—outlined in the draft Interim Staff Guidance (ISG) NRC-DSS-ISG-2025-XX (“Treatment of Certain Loss-of-Coolant Accident Locations as Beyond-Design-Basis Accidents Draft Interim Staff Guidance”)—to reduce overly conservative requirements for large-break loss of coolant accidents through technical justifications and exemptions. However, extensive operating experience and validated methodologies—such as LBB and in-service inspection programs—demonstrate that the probability of a DEGB in reactor coolant-loop piping is extremely low, even under seismic conditions. The authors and reviewers of this report recommend that DEGB be removed as a design-basis event through formal rulemaking, rather than case-by-case exemptions, to better reflect credible failure modes, align with current data, and align with modern, risk-informed safety analysis.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Advanced Power Electronics and Electric Machines

The advanced power electronics and electric machines (APEEM) research group at the National Renewable Energy Laboratory (NREL) has developed world-class experimental and modeling capabilities for designing and evaluating efficient and reliable power electronics and electric machines thermal management systems. They also design, fabricate and characterize advanced power electronics packaging, and are developing state-of-health monitoring techniques. These researchers deliver safe, reliable, high performing, power-dense components that allow seamless integration between renewable energy sources, electric transportation, and the grid, helping to make widespread electric vehicle (EV) adoption and greenhouse gas emissions reduction more feasible. This document outlines the group's major capabilities in the areas of power electronics; module development and characterization; thermal modeling and management; thermomechanical reliability analysis of devices, modules, inverters/converters, and electric machines; physics-of-failure-based reliability analysis; and microelectronics. It also overviews the group's state-of-the-art equipment for fluid-based thermal management; thermal measurement & characterization; thermomechanical reliability analysis; micro- and power electronics measurement & characterization; and prototype fabrication, as well as the group's world-class modeling and simulation capabilities.

advanced gate drivers↗

Performance of wave function and Green's function methods for non-equilibrium many-body dynamics

Theoretical descriptions of the non-equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on the truncation of the expansion of the many-body wave function, (ii) compressed representations of the many-body wave function, or (iii) evolution of an effective (downfolded) representation through Green's functions. In this work, we select representative cases of each of the methods and address how these complementary approaches capture the dynamics driven by intense field perturbations to non-equilibrium states. Under strong driving, the systems are characterized by strong entanglement of the single-particle density matrix and natural populations approaching those of a strongly interacting equilibrium system. We generate a representative set of results that are numerically exact and form a basis for a critical comparison of the distinct families of methods. We demonstrate that the compressed formulation based on similarity-transformed Hamiltonians (coupled-cluster approach) is practically exact in weak fields and, hence, weakly or moderately correlated systems. Coupled cluster, however, struggles for strong driving fields, under which the system exhibits strongly correlated behavior, as measured by the von Neumann entropy of the single-particle density matrix. The dynamics predicted by Green's functions in the (widely popular) G W approximation are less accurate, but improve significantly upon the mean-field results in the strongly driven regime. Published by the American Physical Society 2025

Reeves, Cian C. (ORCID:0009000642581845)↗

Pump-induced motion of an interface between competing orders

In this work, we study the motion of an interface separating two regions with different electronic orders following a short-duration pump that drives the system out of equilibrium. Using a generalized Ginzburg-Landau approach and assuming that the main effect of the nonequilibrium drive is to transiently heat the system we address the question of the direction of interface motion—in other words, which ordered region expands and which contracts after the pump. Our analysis includes the effects of differences in free-energy landscape and in order parameter dynamics and identifies circumstances in which the drive may act to increase the volume associated with the subdominant order, for example when the subdominant order has a second-order free-energy landscape while the dominant order has a first-order one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗