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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Organismic materials for beyond von Neumann machines

The elementary basis of intelligence in organisms with a central nervous system includes neurons and synapses and their complex interconnections forming neural circuits. In non-neural organisms such as slime mold with gel-like media, viscosity modulation enables adaptation to changing environments. At a larger scale, collective intelligence emerges via social interactions and feedback in animal colonies. Learning and memory are therefore multi-scale features that evolve as a result of constant interactions with the environment. There is growing interest in emulating such features of intelligence in computing machines and autonomous systems. Materials that can respond to their environment in a manner similar to organisms (referred to as "organismic materials") therefore may be of interest as hardware components in artificial intelligence machines. In this brief review, we present a class of semiconductors called correlated oxides as candidates for learning machines. The term "correlated" refers to the fact that electrons in such lattices strongly interact and the ground state is not what is predicted by classical band theory. Such materials can undergo insulator-metal transitions at near ambient conditions under external stimuli such as thermal or electrical fields, strain, and chemical doping. Depending on the mechanism driving the transition, intermediate states can be metastable with different volatilities, and the time scales of phase change can be controlled over many orders of magnitude. The change in electronic properties can be sharp or gradual, leading to digital or analog behavior. These properties enable the realization of artificial neurons and synapses and emulate the associative and non-associative learning characteristics found in various organisms. We examine microscopic properties concerning electronic and structural transitions leading to collective behavior and theoretical treatments of the ground state and dynamical response, showcasing VO 2 as a model system. Next, we briefly review algorithms designed from the plasticity demonstrated by phase changing systems. Finally, we conclude the brief review with suggestions for future research toward realizing non-von Neumann machines.

42 ENGINEERING↗
DOE OSTI2022

Assessment of the Electrical Substation-Grid Testbed with Inside/Outside Devices and Distributed Ledger Technology

The electrical substation-grid testbed was created to integrate the GOOSE and/or DNP (Distributed Network Protocol) messages with time synchronized sources and Distributed Ledger Technology (DLT). The objective was to study the impact of faults and cyber-events at an electrical substation with inside (protective relays) and outside (power meters) substation devices. The electrical substation-grid testbed was based on the design of a 34.5/ 12.47 kV electrical substation (sectionalized bus configuration) with two power transformers, connected to radial power lines and load feeders. The electrical substation-grid testbed was installed at 252 lab space (Advanced Power System Protection), Grid Research Integration and Deployment Center (GRID-C), Oak Ridge National Laboratory. This testbed was created for Task 5, DarkNet project. The electrical substation-grid testbed was created to simulate fault and/or cyber events that could potentially result in damage to the electrical infrastructure. In addition, tests were run that are usually not allowed to be performed in an operational electrical power grid, because these test scenarios could trip breakers and/or generate fault situations that could potentially damage equipment. The number of tests performed in the electrical substation-grid testbed were executed in a better way than in a real electrical substation and/or power grid, because multiple tests could be run in a short period of time, and complex permits, and safety/ schedule restrictions like in a real electrical substation environment were not needed. The electrical substation-grid testbed was created using real measurement, communication, and protection devices that are used by electrical utilities, to have same conditions that we could observe in a real power grid or electrical substation. The electrical substation-grid testbed was based on using a real time simulator and expansion box with amplifiers that were wired to electrical substation-grid devices. This hardware-in-the-loop (HIL) was provided by protective relays, power meters, ethernet switches, remote terminal units, synchronized timing network clock, DLT devices, workstations, and servers. This report includes the design, installation, and assessment of the electrical substation-grid testbed that was similar to an operational electrical substation, integrating the power system protection, communication, and control systems. The results for the electrical substation-grid testbed were based on:• verifying the analog signals for protective relays and power meters, • observing the synchronized time source frame at devices, • authenticating the GOOSE (IEC 61850) and DNP messages from power meters and protective relays, and • verifying the trip conditions of protective relays at fault tests with the power system fault event detection, using DLT devices. For future work, the electrical substation-grid testbed with protective relays and power meters, using DLT and synchronized time source from DarkNet, will be used to study the impact of cyber-events at inside and outside substation devices. Advanced algorithms for detecting cyber-events produced by non-desired protective relay settings will be studied, to improve the detection and reliability of protection, control, and communication systems at power grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Module-Fluidics: Building Blocks for Spatio-Temporal Microenvironment Control

Generating the desired solute concentration signal in micro-environments is vital to many applications ranging from micromixing to analyzing cellular response to a dynamic microenvironment. We propose a new modular design to generate targeted temporally varying concentration signals in microfluidic systems while minimizing perturbations to the flow field. The modularized design, here referred to as module-fluidics, similar in principle to interlocking toy bricks, is constructed from a combination of two building blocks and allows one to achieve versatility and flexibility in dynamically controlling input concentration. The building blocks are an oscillator and an integrator, and their combination enables the creation of controlled and complex concentration signals, with different user-defined time-scales. We show two basic connection patterns, in-series and in-parallel, to test the generation, integration, sampling and superposition of temporally-varying signals. All such signals can be fully characterized by analytic functions, in analogy with electric circuits, and allow one to perform design and optimization before fabrication. Such modularization offers a versatile and promising platform that allows one to create highly customizable time-dependent concentration inputs which can be targeted to the specific application of interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optical Control of Adaptive Nanoscale Domain Networks

Adaptive networks can sense and adjust to dynamic environments to optimize their performance. Understanding their nanoscale responses to external stimuli is essential for applications in nanodevices and neuromorphic computing. However, it is challenging to image such responses on the nanoscale with crystallographic sensitivity. Here, the evolution of nanodomain networks in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices (SLs) is directly visualized in real space as the system adapts to ultrafast repetitive optical excitations that emulate controlled neural inputs. The adaptive response allows the system to explore a wealth of metastable states that are previously inaccessible. Their reconfiguration and competition are quantitatively measured by scanning x-ray nanodiffraction as a function of the number of applied pulses, in which crystallographic characteristics are quantitatively assessed by assorted diffraction patterns using unsupervised machine-learning methods. The corresponding domain boundaries and their connectivity are drastically altered by light, holding promise for light-programable nanocircuits in analogy to neuroplasticity. Phase-field simulations elucidate that the reconfiguration of the domain networks is a result of the interplay between photocarriers and transient lattice temperature. The demonstrated optical control scheme and the uncovered nanoscopic insights open opportunities for the remote control of adaptive nanoscale domain networks.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Constraining solar electron number density via neutrino flavor data at Borexino

Understanding the physics of the deep solar interior, and the more exotic environs of core-collapse supernovae (CCSN) and binary neutron-star (NS) mergers, is of keen interest in many avenues of research. To date, this physics is based largely on simulations via forward integration. While these simulations provide valuable constraints, it could be insightful to adopt the "inverse approach" as a point of comparison. Within this paradigm, parameters of the solar interior are not output based on an assumed model, but rather are inferred based on real data. Here, we take the specific case of solar electron number density, which historically is taken as output from the standard solar model. We show how one may arrive at an independent constraint on that density profile based on available neutrino flavor data from the Earth-based Borexino experiment. The inference technique's ability to offer a unique lens on physics can be extended to other datasets, and to analogous questions for CCSN and NS mergers, albeit with simulated data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Barriers to adopting artificial intelligence and machine learning technologies in nuclear power

Artificial intelligence and machine learning (AI/ML) technologies offer unique opportunities to transform nuclear plant operations and power generation. Benefits will be felt not only within existing analog and digital instrumentation and control, but also within work processes, the integration of people with technology and most importantly, the business case. The application of this new technology can help simplify complex problems and produce more effective decision-making, making nuclear power safer, more efficient, and more economically viable in the current energy market. Nonetheless, there are potential barriers to its adoption that must be overcome. The purpose of this paper is to categorize, review, and discuss barriers to AI/ML adoption within the nuclear power industry, with a focus on existing commercial reactors. Unique considerations for advanced reactors are also offered. Here we provide a comprehensive overview of the historical, technical, and business barriers that the industry faces, as well as stakeholder readiness, and end-user acceptance. We underscore the importance of user experience and offer potential solutions in overcoming each barrier. These include provisions for easier plant data access, a friendly regulatory environment, and investment in user trust and explainable AI.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Multiscale investigations of europium(III) complexation with tetra- n -octyl diglycolamide confined in porous solid supports

The microscopic, short-range coordination environments and mesoscopic, long-range structures of Eu 3+ contacted with tetra-n-octyl diglycolamide (TODGA) confined on ordered mesoporous carbon (OMC) nanoparticles and Amberchrom CG 71 resin were probed using Eu L 3 -edge extended X ray absorption fine structure (EXAFS) as well as small-angle and wide-angle X ray scattering, SAXS and WAXS, respectively. A homoleptic Eu(TODGA) 3 3+ coordination complex typical of liquid-liquid extraction (LLE) chemistry is present under low Eu 3+ loading conditions on both solid supports. Deviations from this traditional structure motif appear at hyperstoichiometric Eu 3+ loadings, above the 1:3 Eu 3+ to TODGA mole ratio. Microcrystalline-like domains with multinuclear Eu speciation are templated by use of these high Eu 3+ loading conditions with the functionalized OMC materials, highlighting a major departure of liquid-solid extraction chromatography (EXC) from the coordination chemistry of LLE. No such long-range spatial coherence was observed for analogous polyacrylic resin materials. Furthermore, these results demonstrate both the similarities and differences between multiscale structures in LLE and EXC, underscoring the opportunities for improved separation techniques based on solid supports with long-range spatial coherence (e.g., OMC systems) and without it (e.g., resin materials). Since crystallization was the first approach to adjacent lanthanide separations, the prospect of templating microcrystalline TODGA-lanthanide complexes that are otherwise not prone to crystallization by use of OMC nanoparticles represents a new entry to addressing long-standing issues in purification by liquid-solid phase separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Microbial Influence on the Mobility of +3 Actinides from a Salt-Based Nuclear Waste Repository

Biologically enhanced transport of radionuclides is one of several processes that can affect the performance of a nuclear waste repository. In this work, several microbial isolates from the Waste Isolation Pilot Plant (WIPP) were tested for their influence on the concentration of neodymium, as an analog for +3 actinides, in simple sodium chloride solutions and in anoxic WIPP brines. Batch sorption experiments were carried out over a period of 4–5 weeks. In many cases, the effect on neodymium in solution was immediate and extensive and assumed to be due to surface complexation. However, over time, the continued loss of Nd from the solution was more likely due to biologically induced precipitation and/or mineralization and possible entrapment in extracellular polymeric substances. The results showed no correlation between organism type and the extent of its influence on neodymium in solution. However, a correlation was observed between different test matrices (simple NaCl versus high-magnesium brine versus high-NaCl brine). Further experiments were conducted to test these matrix effects, and the results showed a significant effect of magnesium concentration on the ability of microorganisms to remove Nd from solution. Possible mechanisms include cation competition and the alteration of cell surface structures. This suggests that the aqueous chemistry of the WIPP environs could play a larger role in the final disposition of +3 actinides than the microbiology.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atomlike interaction and optically tunable giant band-gap renormalization in large-area atomically thin MoS2

Coulomb interactions in atomically thin transition metal dichalcogenides can be dynamically engineered by exploiting the dielectric environment to control the optical and electronic properties. Here we demonstrate an optically tunable giant band-gap renormalization (BGR) ~1200 and 850 meV from the edge of the conduction band and complete suppression of the exciton absorption in large-area single-layer (1L) and three-layer (3L) MoS2, respectively. The observed giant BGR is two orders of magnitude larger than that in the conventional semiconductors, and it persists for tens of ps. Strikingly, our results demonstrate photoinduced transparency at the electronic band gap using an intense optical field at room temperature. Exciton bleach recovery in 1L and 3L show a contrasting fluence-dependent response, demonstrating the layer-dependent optical tuning of exciton lifetime in a way that would be both reversible and real time. We find that the optical band gap (exciton resonance peak) shows a transient redshift followed by an anomalous blueshift from the lowest energy point as a function of the photo-generated carrier density. The observed exciton energy shift is analogous to atom-atom interactions, and it varies as a Lennard-Jones like potential as a function of the interexciton separation.

2D semiconductors↗
DOE OSTI2025

Analcime-wairakite formation during experimental cement-bentonite alteration at 200–300 °C

Engineered barrier system materials in nuclear waste repositories may undergo hydrothermal alteration in response to groundwater saturation and heating events over their long operational timescales. Hydrothermal interactions between engineered materials (e.g., bentonite buffers, cements, waste canister materials) and the host rock environment may drive alteration processes that affect the advantageous properties of some barrier materials. However, such alteration will also promote the formation of zeolites, hydrothermally formed minerals that may themselves act to isolate radionuclides. Understanding the environmental conditions that control radionuclide-sorbing properties of zeolites, such as Si/Al ratio or Na content, will be valuable for assessing the changing properties of engineered barrier materials in the case of an in situ heating event. Here, we present experimental work characterizing the formation of zeolites during hydrothermal interactions between generic clay and cement barrier materials, with a focus on the analcime-wairakite zeolite series, which has known radionuclide sorption and exchange properties. We present the results of hydrothermal experiments combining uncured ordinary Portland cement powder with steel and Wyoming bentonite in the presence of Opalinus clay and a synthesized Opalinus clay groundwater to simulate water-saturated conditions in an argillaceous rock repository. The experiments were conducted isothermally at 200 or 300 °C for 8 to 24 weeks. In contrast to analogous studies that did not include cement reactants, we observed the formation of analcime-group minerals in all experiments. The addition of cement resulted in lower Si/Al ratios in the zeolites compared to similar studies that did not include cement. The presence of cement as a reactant was interpreted to promote analcime formation at 200 °C. At 300 °C, we observed higher calcium and silica concentrations in the aqueous solutions as well as increased wairakite formation and decreased analcime formation compared to the experiments at 200 °C. These results show a fully realized analcime-wairakite solid solution that falls between Si/Al = 2 (ideal) and a trend of analcime minerals that have increasing Si/Al ratios with increasing Na/(Na+Ca). Our results show predictable relationships between the Si/Al ratio and the analcime-wairakite content under hydrothermal conditions and illustrate that repository material interactions may promote the formation of zeolites in the analcime-wairakite solid-solution series during heating events in the subsurface.

58 GEOSCIENCES↗
DOE OSTI2020

Model and Standard Operating Procedures Supporting Signal Variation Flow Graph Analysis

This document will describe the principles of the Signal Variation Flow Technique, and the uncertainty models generated using it. We focus on the capture of the variation between the ideal signal and the measured signal. The ideal signal is defined to represent the signal output of a system whose full state behavior is known, with no variation in environment or during operation, and whose photons trajectories are not modified by the object. A CT uncertainty analysis is the result of two main steps. First, the radiography regime extends from the source to the collected image, which is 2D in the case of standard CT. This maps all upstream uncertainties into the variation observed on the radiograph and captures all variation in the physical domain. Second, the reconstruction regime extends from the captured images to the reconstructed 3D image. This regime is purely in the mathematical domain and corrects reconstruction algorithm artifacts/anomalies. The present work focuses on building the model through the radiography regime. The reconstruction regime is expected to be largely a study of algorithmic sensitivity, requiring the definition of a range of standardized tests through which the algorithms would be run. Radiographic variation would then be mapped through reconstruction sensitivities to predict the signal variation in the final image. An incomplete list for the reconstructed image variation output basis includes voxel density, edge blur and length variation, in analogous fashion to the basis functions presented in this work. The signal variation occurs in several forms at the radiograph. These forms are gathered into a complete basis set of functions describing all variation on the radiograph. The scale of each basis function is calculated independently via a specific SVFG. This includes 0D pixel noise (0DI), 0D energy noise (0DE), 1D blur (1DB), 1D length (1DL) or 2D position (2DP). These models are orthogonal in that they each explore a space in the signal variation domain that cannot be reached by the other basis functions. The variation basis functions, and associated SVFG models are split by output dimensionality, a term loosely used for categorization, and explained further below.

42 ENGINEERING↗
DOE OSTI2021

Modeling Turbulence in Galactic Centers

Turbulence is a prevalent phenomenon in the interstellar medium, and in particular, the environment at the centers of galaxies. For example, detailed observations of the Milky Way’s Central Molecular Zone (CMZ) revealed that it has a complex and turbulent structure. Turbulence on galactic scales is often modeled using star formation and feedback. However, these effects do not appear to be sufficient for explaining the high-velocity dispersion observed in the CMZ, indicating that additional gas-stirring processes are likely to be operating. Here we introduce a proof-of-concept method to drive turbulence in gas that orbits under the influence of a galactic potential. Instead of relying on a particular physical mechanism, we have adopted a Fourier forcing module and have applied it using a smoothed particle hydrodynamics code. To test our method, we performed simulations of a simplistic model of the CMZ. Our turbulence injection method is capable of balancing the self-gravity of the gas, which allows us to run the simulations for long timescales and thereby follow the evolution of the CMZ. Our results show that turbulence induces a flocculent spiral pattern in our model, analogous to that found in galactic-scale simulations. Furthermore, we find that our turbulence injection method induces inward migration of gas, a result consistent with previous numerical simulations. We submit that this injection method is a promising new tool to simulate turbulence in galactic centers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

The Behaviors of Intraseasonal Cloud Organization During DYNAMO/AMIE

This study investigates the organization of tropical convection associated with the Madden-Julian Oscillation (MJO) during the Dynamics of the MJO/Atmospheric Radiation Measurement MJO Investigation Experiment field campaign. While it is known that tropical clouds can organize and impact the large-scale environment, how this occurs, and its underlying mechanism are not fully understood. Application of several existing cloud organization indices showed inconsistent evolutions in the measured degree of organization with the MJO. The inconsistency arises from the varying definitions and assumptions of cloud organization behaviors that are applied to each index. While these indices often combine different properties of clouds, such as their number density, size, and distance between them, the analysis of these properties separately provided further understanding of how clouds organize with the MJO. Using the rainfall clusters identified from the S-Polka radar, we find that deep convective rainfall clusters begin to increase their number density before the arrival of MJO enhanced convective center, which is accompanied by increased proximity (shorter distance to each other) and followed by growth in their size. However, the nonrandomness in the spatial distribution of rainfall clusters maximizes as MJO convection decays. Deep convective clusters become the least randomly distributed as the clusters decay because of the suppression and decay of isolated deep convective cells, while clustered deep convective cells exist longer. This evolution of cloud organization is analogous to mesoscale convective systems, indicating that the duration and frequency of their organization stages are altered by the large-scale environmental perturbations associated with the MJO.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Radiation-hard miniature optical engine with high bandwidth

Future silicon trackers will be operated in an intense radiation environment and require large volumes of data to be transmitted off detector. In addition, the optical modules must be of low mass in order to limit multiple scattering and nuclear interactions that would degrade the overall performance of the detector. Here, we present a miniature optical engine that satisfies these constraints. The optical engine consists of an ASIC driving a VCSEL (Vertical Cavity Surface Emitting Laser) array in an optical package. Two ASICs are designed to operate a 12-channel VCSEL array at 1.28 or 5.12 Gb/s per channel, which yields a total data rate of up to 60 Gb/s. The core transistors are fabricated in a 65 nm CMOS process which enhance the radiation-hardness. Each channel contains equalizer (CTLE) and clock-data recovery circuits (CDR) so that the ASIC can restore the highly distorted electrical signal after propagating through several meters of cables of small diameter. The equalizer, CDR, and VCSEL driver are configured via a digital I 2 C chip interface with triple redundant memory to mitigate single event upset (SEU) effects. The bias and modulation currents are controlled by a digital-to-analog converter (DAC). We present the design of the circuit together with the results of the simulations and preliminary measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Multi-energy calibration of a PILATUS3 CdTe detector for hard x-ray measurements of magnetically confined fusion plasmas

A multi-energy hard x-ray pin-hole camera based on the PILATUS3 X 100K-M CdTe detector has been developed at the Princeton Plasma Physics Laboratory for installation on the Tungsten Environment in Steady State Tokamak. This camera will be employed to study thermal plasma features such as electron temperature as well as non-thermal effects such as fast electron tails produced by a lower hybrid radiofrequency current drive and the birth of runaway electrons. The innovative aspect of the system lies in the possibility of setting the threshold energy independently for each of the ~100k pixels of the detector. This feature allows for the measurement of the x-ray emission in multiple energy ranges with adequate space and time resolution (~1 cm, 2 ms) and coarse energy resolution. In this work, the energy dependence of each pixel was calibrated within the range 15 keV–100 keV using a tungsten x-ray tube and emission from a variety of fluorescence targets (from yttrium to uranium). The data corresponding to pairs of K α emission lines are fit to the characteristic responsivity (“S-curve”), which describes the detector sensitivity across the 64 possible energy threshold values for each pixel; this novel capability is explored by fine-tuning the voltage of a six-bit digital-analog converter after the charge-sensitive amplifier for each of the ~100k pixels. Here, this work presents the results of the calibration including a statistical analysis. It was found that the achievable energy resolution is mainly limited by the width of the S-curve to 3 keV–10 keV for threshold energies up to 50 keV, and to ≥20 keV for energies above 60 keV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Studying Open Quantum Systems Relevant to Chemistry on a Trapped-Ion Quantum Simulator (Final Technical Report)

This project advances the trapped-ion quantum simulator as a versatile platform for studying open quantum system phenomena. We aim to contribute to the emerging quantum simulation toolkits and enable simulation of nanoscale energy processes. Trapped-ion platforms offer unique capabilities: their vibrational motion can be precisely manipulated, measured, and coherently coupled to auxiliary qubits. The vibrational mode can function both as a highly sensitive quantum sensor and a programmable environment bath. Using this platform, we achieved three major outcomes. First, we demonstrated using the vibrational mode as an ultrasensitive probe for testing fundamental physics, including possible nonlinear quantum mechanics effects. Second, we established that these modes can act as controllable baths in which tunable noise and loss can enhance or modify energy-transfer dynamics, providing the experimental preparation toward studying mechanisms relevant to chemical reactions and light-harvesting systems. Third, by introducing controllable nonlinear gain and loss, we showed theoretically how simulations using trapped ions can model vibrationally-assisted energy transport in a non‐Hermitian quantum system comprising a chromophore dimer weakly coupled to a vibrational mode. Exploring the non‐Hermitian dynamics of the whole system including vibrations, we found that energy transfer accompanied by absorption of phonons from a vibrational mode can be significantly enhanced near an exceptional point. This theoretical work on simulation of energy transfer processes in driven non‐Hermitian quantum systems revealed an interesting novel path to study open quantum systems dynamics under conditions of gain and loss. We then further explored the benefits of controllable gain and loss with an experimental realization of quantum analogs of nonlinear oscillators, namely, the van der Pol oscillator. Here we observed mutual synchronization mediated by collective dissipation between two oscillators. In parallel, we explored related quantum networking protocols using the same trapped-ion platform, developing fast, high-fidelity schemes for distributing entanglement. Together, these achievements show that trapped-ion vibrational modes provide a highly programmable and high-fidelity platform for investigating complex dissipative quantum behavior, while enabling new approaches to remote quantum sensing, energy science, and nonlinear quantum dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Sulfate adenylyl transferase kinetics and mechanisms of metabolic inhibitors of microbial sulfate respiration

Abstract Sulfate analog oxyanions that function as selective metabolic inhibitors of dissimilatory sulfate reducing microorganisms (SRM) are widely used in ecological studies and industrial applications. As such, it is important to understand the mode of action and mechanisms of tolerance or adaptation to these compounds. Different oxyanions vary widely in their inhibitory potency and mechanism of inhibition, but current evidence suggests that the sulfate adenylyl transferase/ATP sulfurylase (Sat) enzyme is an important target. We heterologously expressed and purified the Sat from the model SRM, Desulfovibrio alaskensis G20. With this enzyme we determined the turnover kinetics (kcat, KM) for alternative substrates (molybdate, selenate, arsenate, monofluorophosphate, and chromate) and inhibition constants (KI) for competitive inhibitors (perchlorate, chlorate, and nitrate). These measurements enable the first quantitative comparisons of these compounds as substrates or inhibitors of a purified Sat from a respiratory sulfate reducer. We compare predicted half-maximal inhibitory concentrations (IC50) based on Sat kinetics with measured IC50 values against D. alaskensis G20 growth and discuss our results in light of known mechanisms of sensitivity or resistance to oxyanions. This analysis helps with the interpretation of recent adaptive laboratory evolution studies and illustrates the value of interpreting gene–microbe–environment interactions through the lens of enzyme kinetics.

Carlson, Hans K. (ORCID:0000000215835313)↗