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At least 505 records · Page 28

VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems

We present an open-source software package, VAN-DAMME (Versatile Approaches to Numerically Design, Accelerate, and Manipulate Magnetic Excitations), for massively-parallelized quantum optimal control (QOC) calculations of multi-qubit systems. To enable large QOC calculations, the VAN-DAMME software package utilizes symmetry-based techniques with custom GPU-enhanced algorithms. This combined approach allows for the simultaneous computation of hundreds of matrix exponential propagators that efficiently leverage the intra-GPU parallelism found in high-performance GPUs. In addition, to maximize the computational efficiency of the VAN-DAMME code, we carried out several extensive tests on data layout, computational complexity, memory requirements, and performance. These extensive analyses allowed us to develop computationally efficient approaches for evaluating complex-valued matrix exponential propagators based on Padé approximants. To assess the computational performance of our GPU-accelerated VAN-DAMME code, we carried out QOC calculations of systems containing 10 - 15 qubits, which showed that our GPU implementation is 18.4× faster than the corresponding CPU implementation. Our GPU-accelerated enhancements allow efficient calculations of multi-qubit systems, which can be used for the efficient implementation of QOC applications across multiple domains.

97 MATHEMATICS AND COMPUTING↗

TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations

The encapsulation and commoditization of electronic structure arise naturally as interoperability, and the use of nontraditional compute resources (e.g., new hardware accelerators, cloud computing) remains important for the computational chemistry community. Here, we present TERACHEM CLOUD, a high-performance computing service (HPCS) that offers on-demand electronic structure calculations on both traditional HPC clusters and cloud-based hardware. The framework is designed using off-the-shelf web technologies and containerization to be extremely scalable and portable. Within the HPCS model, users can quickly develop new methods and algorithms in an interactive environment on their laptop while allowing TERACHEM CLOUD to distribute ab initio calculations across all available resources. This approach greatly increases the accessibility of hardware accelerators such as graphics processing units (GPUs) and flexibility for the development of new methods as additional electronic structure packages are integrated into the framework as alternative backends. Cost-performance analysis indicates that traditional nodes are the most cost-effective long-term solution, but commercial cloud providers offer cutting-edge hardware with competitive rates for short-term large-scale calculations. We demonstrate the power of the TERACHEM CLOUD framework by carrying out several showcase calculations, including the generation of 300,000 density functional theory energy and gradient evaluations on medium-sized organic molecules and reproducing 300 fs of nonadiabatic dynamics on the B800-B850 antenna complex in LH2, with the latter demonstration using over 50 Tesla V100 GPUs in a commercial cloud environment in 8 h for approximately $1250.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plug & play directed evolution of proteins with gradient-based discrete MCMC

Abstract A long-standing goal of machine-learning-based protein engineering is to accelerate the discovery of novel mutations that improve the function of a known protein. We introduce a sampling framework for evolving proteins in silico that supports mixing and matching a variety of unsupervised models, such as protein language models, and supervised models that predict protein function from sequence. By composing these models, we aim to improve our ability to evaluate unseen mutations and constrain search to regions of sequence space likely to contain functional proteins. Our framework achieves this without any model fine-tuning or re-training by constructing a product of experts distribution directly in discrete protein space. Instead of resorting to brute force search or random sampling, which is typical of classic directed evolution, we introduce a fast Markov chain Monte Carlo sampler that uses gradients to propose promising mutations. We conduct in silico directed evolution experiments on wide fitness landscapes and across a range of different pre-trained unsupervised models, including a 650 M parameter protein language model. Our results demonstrate an ability to efficiently discover variants with high evolutionary likelihood as well as estimated activity multiple mutations away from a wild type protein, suggesting our sampler provides a practical and effective new paradigm for machine-learning-based protein engineering.

59 BASIC BIOLOGICAL SCIENCES↗

Phenomenological Model of Current Sheet Canting in Pulsed Electromagnetic Accelerators

The phenomenon of current sheet canting in pulsed electromagnetic accelerators is the departure of the plasma sheet (that carries the current) from a plane that is perpendicular to the electrodes to one that is skewed, or tipped. Review of pulsed electromagnetic accelerator literature reveals that current sheet canting is a ubiquitous phenomenon - occurring in all of the standard accelerator geometries. Developing an understanding of current sheet canting is important because it can detract from the propellant sweeping capabilities of current sheets and, hence, negatively impact the overall efficiency of pulsed electromagnetic accelerators. In the present study, it is postulated that depletion of plasma near the anode, which results from axial density gradient induced diamagnetic drift, occurs during the early stages of the discharge, creating a density gradient normal to the anode, with a characteristic length on the order of the ion skin depth. Rapid penetration of the magnetic field through this region ensues, due to the Hall effect, leading to a canted current front ahead of the initial current conduction channel. In this model, once the current sheet reaches appreciable speeds, entrainment of stationary propellant replenishes plasma in the anode region, inhibiting further Hall-convective transport of the magnetic field; however, the previously established tilted current sheet remains at a fairly constant canting angle for the remainder of the discharge cycle, exerting a transverse J x B force which drives plasma toward the cathode and accumulates it there. This proposed sequence of events has been incorporated into a phenomenological model. The model predicts that canting can be reduced by using low atomic mass propellants with high propellant loading number density; the model results are shown to give qualitative agreement with experimentally measured canting angle mass dependence trends.

Markusic, Thomas↗

Progression to Compatibility Evaluations in Flowing Molten Salts

Molten salt compatibility with structural alloys has been identified as a key issue for the development of Generation 3 concentrating solar power (CSP) systems with thermal storage. To accelerate this evaluation to pumped systems, the goal of this project was to conduct thermal convection loop (TCL) experiments with a peak temperature of ≥700°C and a typical temperature gradient of ~100°C. The experiments indicated that conventional ~16wt.%Cr Ni-based alloys are compatible up to 700°C with purified (i.e. low O) or dried (low H₂O) industrial-sourced Mg-K-Na chloride salt with <10 μm/yr loss. This two-year project was conducted based on the experimental and mechanistic understanding developed more than 60 years ago at Oak Ridge National Laboratory (ORNL). The first TCL experiment met the <15 μm/yr corrosion metric for this project with specimens of Ni-based alloy 600 exposed at 580°-700°C for 1000 h and post-exposure room temperature tensile tests showed minimal degradation. The second TCL experiment successfully deployed an electrochemical sensor from Argonne National Laboratory and had a peak temperature of 750°C but only ran for ~110 h due to a furnace failure. Both experiments used highly purified industrial-sourced salt with an O content of ~3 μg O/g salt and a Mg addition of 0.04 wt.%. In the second year, the Chloride Collective developed a more economical drying procedure such that the O content was much higher (>20,000 μg O/g salt). A third TCL experiment was conducted with a sensor and a peak temperature of 700°C using dried salt from the same industrial source and increased NaCl content (~20 wt.%). In addition to a 0.05% Mg addition to the salt, a Mg coupon was added in the coldest part of the loop which dissolved during the experiment. Again, small mass changes were noted for specimens of alloys 600 and C276 but the values were slightly higher than those measured in purified salt with Mg. A thin non-continuous and non-adherent oxide layer was deposited on most specimens containing Mg, Si and Al but Cr depletion also was observed. Both years included facilities qualification crucible experiments and then capsule experiments to confirm a baseline isothermal reaction rate. The first year capsule experiment led to the conclusion that the two-stage ORNL purification process using NH₄Cl and CCl₄ left the salt with a high Cl potential and a Mg addition (~0.05wt.%) was needed to lower the potential. The second year capsule experiments at 600° and 700°C found little difference in depth of attack for 0-0.25%Mg additions. In general, the complex reactions where salt can be trapped in the porous surface layer of metal indicated that mass change is an unreliable metric and average depth of Cr depletion is a better metric for assessing the extent of attack. These results have created a new baseline that is contrary to the recent published literature for chloride salts where mass losses have been reported that can be extrapolated to very significant annual metal loss rates. Chloride salt corrosion can be controlled and the results also indicate that salt purification to low O levels may not be necessary. However, additional TCL experiments are needed at different times and temperatures to generate important engineering information such as temperature dependent corrosion rates and reaction rate laws for extrapolation to long-term behavior and isolate the effect of salt additives and impurities.

36 MATERIALS SCIENCE↗

Phase instabilities in austenitic steels during particle bombardment at high and low dose rates

Disruption of phase stability by energetic particle bombardment is a major challenge in designing advanced radiation-tolerant alloys and ion beam processing of nanocomposites. Particularly, ballistic dissolution susceptibility of different solute nanocluster species in alloys is poorly understood. Here, low dose rate neutron irradiations were conducted on a Fe-Cr-Ni based austenitic steel in the BOR-60 reactor (9.4 × 10 -7 dpa/s, 318 °C) followed by accelerated dose rate ion irradiations at multiple temperatures ( 10 -3 dpa/s, 380 – 420 °C). Using atom probe tomography, the stability of radiation-enhanced Cu-rich and radiation-induced Ni-Si-Mn-rich nanoclusters was evaluated. During neutron irradiation, Cu-rich clusters nucleated with their core concentrations progressively increasing with dose, while Ni-Si-Mn-rich clusters formed and evolved into G-phase precipitates. Ion irradiations dramatically altered the nanoclusters. Cu-rich clusters were ballistically dissolved, but Ni-Si-Mn-rich clusters remained stable and coarsened with dose at 400 and 420 °C, highlighting that different nanocluster species in a single microstructure can have innately distinct ballistic dissolution susceptibilities. Solute-specific recoil rates were incorporated into the Heinig precipitate stability model, which shows that in addition to radiation-enhanced diffusion, recovery from ballistic dissolution depends on solute concentration gradient near cluster interfaces. Finally, the combined experimental-modeling study quantified the critical temperatures and damage rates where ballistic dissolution dominates for each cluster species.

36 MATERIALS SCIENCE↗

The Impact of High-Resolution Sea Surface Temperatures on the Simulated Nocturnal Florida Marine Boundary Layer

High- and low-resolution sea surface temperature (SST) analysis products are used to initialize the Weather Research and Forecasting (WRF) Model for May 2004 for short-term forecasts over Florida and surrounding waters. Initial and boundary conditions for the simulations were provided by a combination of observations, large-scale model output, and analysis products. The impact of using a 1-km Moderate Resolution Imaging Spectroradiometer (MODIS) SST composite on subsequent evolution of the marine atmospheric boundary layer (MABL) is assessed through simulation comparisons and limited validation. Model results are presented for individual simulations, as well as for aggregates of easterly- and westerly-dominated low-level flows. The simulation comparisons show that the use of MODIS SST composites results in enhanced convergence zones. earlier and more intense horizontal convective rolls. and an increase in precipitation as well as a change in precipitation location. Validation of 10-m winds with buoys shows a slight improvement in wind speed. The most significant results of this study are that 1) vertical wind stress divergence and pressure gradient accelerations across the Florida Current region vary in importance as a function of flow direction and stability and 2) the warmer Florida Current in the MODIS product transports heat vertically and downwind of this heat source, modifying the thermal structure and the MABL wind field primarily through pressure gradient adjustments.

LaCasse, Katherine M.↗

Turbulence Model Behavior in Low Reynolds Number Regions of Aerodynamic Flowfields

The behaviors of the widely-used Spalart-Allmaras (SA) and Menter shear-stress transport (SST) turbulence models at low Reynolds numbers and under conditions conducive to relaminarization are documented. The flows used in the investigation include 2-D zero pressure gradient flow over a flat plate from subsonic to hypersonic Mach numbers, 2-D airfoil flow from subsonic to supersonic Mach numbers, 2-D subsonic sink-flow, and 3-D subsonic flow over an infinite swept wing (particularly its leading-edge region). Both models exhibit a range over which they behave transitionally in the sense that the flow is neither laminar nor fully turbulent, but these behaviors are different: the SST model typically has a well-defined transition location, whereas the SA model does not. Both models are predisposed to delayed activation of turbulence with increasing freestream Mach number. Also, both models can be made to achieve earlier activation of turbulence by increasing their freestream levels, but too high a level can disturb the turbulent solution behavior. The technique of maintaining freestream levels of turbulence without decay in the SST model, introduced elsewhere, is shown here to be useful in reducing grid-dependence of the model's transitional behavior. Both models are demonstrated to be incapable of predicting relaminarization; eddy viscosities remain weakly turbulent in accelerating or laterally-strained boundary layers for which experiment and direct simulations indicate turbulence suppression. The main conclusion is that these models are intended for fully turbulent high Reynolds number computations, and using them for transitional (e.g., low Reynolds number) or relaminarizing flows is not appropriate.

Rumsey, Christopher L.↗

Turbulence Model Behavior in Low Reynolds Number Regions of Aerodynamic Flowfields

The behaviors of the widely-used Spalart-Allmaras (SA) and Menter shear-stress transport (SST) turbulence models at low Reynolds numbers and under conditions conducive to relaminarization are documented. The flows used in the investigation include 2-D zero pressure gradient flow over a flat plate from subsonic to hypersonic Mach numbers, 2-D airfoil flow from subsonic to supersonic Mach numbers, 2-D subsonic sink-flow, and 3-D subsonic flow over an infinite swept wing (particularly its leading-edge region). Both models exhibit a range over which they behave 'transitionally' in the sense that the flow is neither laminar nor fully turbulent, but these behaviors are different: the SST model typically has a well-defined transition location, whereas the SA model does not. Both models are predisposed to delayed activation of turbulence with increasing freestream Mach number. Also, both models can be made to achieve earlier activation of turbulence by increasing their freestream levels, but too high a level can disturb the turbulent solution behavior. The technique of maintaining freestream levels of turbulence without decay in the SST model, introduced elsewhere, is shown here to be useful in reducing grid-dependence of the model's transitional behavior. Both models are demonstrated to be incapable of predicting relaminarization; eddy viscosities remain weakly turbulent in accelerating or laterally-strained boundary layers for which experiment and direct simulations indicate turbulence suppression. The main conclusion is that these models are intended for fully turbulent high Reynolds number computations, and using them for transitional (e.g., low Reynolds number) or relaminarizing flows is not appropriate.

Rumsey, Christopher L.↗

Modeling Offshore Wind Farm Performance in Coastal Low-Level Jets Using Coupled Mesoscale-Microscale Large Eddy Simulations

Accurately predicting wind farm reliability under complex offshore atmospheric conditions remains a key challenge, particularly during noncanonical meteorological events such as coastal low-level jets (LLJs). LLJs, characterized by strong nonmonotonic vertical shear and directional veer, depart significantly from the simplified inflow assumptions embedded in conventional design standards, low-fidelity engineering models, and microscale large eddy simulations of the atmospheric boundary layer. In this work, we use the virtual wind farm framework—an exascale, graphics processing unit–accelerated large eddy simulation platform coupled with high-fidelity aeroservoelastic turbine models and advanced mesoscale-microscale coupling via the ExaWind software stack—to investigate turbine responses under realistic LLJ forcing. Simulations are performed over the U.S. North Atlantic offshore domain with the use of meteorological inputs from New York State Energy Research and Development Authority buoy data, focusing on a representative LLJ case impacting the International Energy Agency 15 MW reference turbine. Our results show that LLJs can cause up to 50% power deficits in downstream turbine rows and significantly amplify low-speed shaft and tower loads through nonlinear coupling between complex inflow characteristics and turbine structural dynamics. Two primary mechanisms drive these load amplifications: (1) unique LLJ inflow features—including veer and vertical/lateral shear—and (2) the downstream evolution of the flow under stable thermal stratification, which suppresses turbulence mixing and alters wake recovery. These mechanisms produce streamwise variations in turbine loading not captured by standard hub height–based metrics or existing design load case (DLC) definitions. This study highlights the critical role of rotor-scale flow gradients in driving fatigue and system-level aeroelastic responses, challenging current DLC and control strategies. We advocate the integration of full-flow field, environment-aware wind inputs into load modeling and control algorithms. By leveraging exascale computing to resolve mesoscale-microscale coupling, this work lays the groundwork for next-generation offshore wind turbine design and operation in meteorologically complex marine environments.

17 WIND ENERGY↗

Comparing the Effectiveness of Low Temperature Bake in EP and BCP Cavities

Electropolishing (EP) and buffered chemical polishing (BCP) are conventional surface preparation techniques for superconducting radiofrequency (SRF) cavities. Both EP and BCP treated SRF cavities display high field Q-slope (HFQS) which degrades performance at high gradients. While high gradient performance in EP cavities can be improved by introducing oxygen via a low temperature bake (LTB) of 120^{°}C by 48 hours, LTB does not consistently remove HFQS in BCP cavities. There is no consensus as to why LTB is not effective on BCP prepared cavities. We examine quench in EP, BCP, EP+LTB, and BCP+LTB treated 1.3 GHz single-cell Nb cavities by studying the heating behavior with field using a temperature mapping system. Cavity performance is correlated to characterizations of surface impurity profile obtained via time of flight secondary ion mass spectrometry studies. We observe a difference in near surface hydrogen concentration following BCP compared to EP that may suggest that the causes of quench in EP and BCP cavities are different.

43 PARTICLE ACCELERATORS↗

An adaptive discontinuous Petrov-Galerkin method for the Grad-Shafranov equation

In this work, we propose and develop an arbitrary-order adaptive discontinuous Petrov--Galerkin (DPG) method for the nonlinear Grad--Shafranov equation. An ultraweak formulation of the DPG scheme for the equation is given based on a minimal residual method. The DPG scheme has the advantage of providing more accurate gradients compared to conventional finite element methods, which is desired for numerical solutions to the Grad--Shafranov equation. The numerical scheme is augmented with an adaptive mesh refinement approach, and a criterion based on the residual norm in the minimal residual method is developed to achieve dynamic refinement. Nonlinear solvers for the resulting system are explored and a Picard iteration with Anderson acceleration is found to be efficient to solve the system. Finally, the proposed algorithm is implemented in parallel on MFEM using a domain-decomposition approach, and our implementation is general, supporting arbitrary order of accuracy and general meshes. Furthermore, numerical results are presented to demonstrate the efficiency and accuracy of the proposed algorithm.

97 MATHEMATICS AND COMPUTING↗

Cardiovascular responses of snakes to hypergravity

Snakes have provided useful vertebrate models for understanding circulatory adaptation to gravity, attributable to their elongate body shape and evolutionary diversificaton in terms of ecology and behavior. Recently we have studied cardiovascular responses of snakes to hypergravic acceleration forces produced acutely in the head-to-tail direction (+Gz) on a short-arm centrifuge. Snakes were held in a nearly straight position within a horizontal plastic tube and subjected to a linear force gradient during acceleration. Carotid blood flow provided an integrated measure of cardiovascular performance. Thus, cardiovascular tolerance of snakes to stepwise increments of Gz was measured as the caudal Gz force at which carotid blood flow ceased. Tolerance to increasing Gz varies according to adaptive evolutionary history inferred from the ecology and behavior of species. With respect to data for six species we investigated, multiple regression analysis demonstrates that Gz tolerance correlates with gravitational habitat, independently of body length. Relative to aquatic and non-climbing species, carotid blood flow is better maintained in arboreal or scansorial species, which tolerate hypergravic forces of +2 to +3.5 Gz. Additionally, semi-arboreal rat snakes (Elaphe obsoleta) exhibit plasticity of responses to long-term, intermittent +1.5 Gz stress. Compared to non-acclimated controls, acclimated snakes show greater increases of heart rate during head-up tilt or acceleration, greater sensitivity of arterial pressure to circulating catecholamines, higher blood levels of prostaglandin ratios favorable to maintenance of arterial blood pressure, and medial hypertrophy in major arteries and veins. As in other vertebrates, Gz tolerance of snakes is enhanced by acclimation, high arterial pressure, comparatively large blood volume, and body movements. Vascular studies of snakes suggest the importance to acclimation of local responses involving vascular tissue, in addition to centrally mediated responses to fluid shifts.

Review, Tutorial↗

Propagation of Cryogenic Thermal Fractures from Unconfined PMMA Boreholes

In cryogenic fracturing, a rock surface exposed to cryogenic fluids undergoes a large thermal gradient, and the resultant local tensile stress overcomes rock strength and initiates fractures. This study investigates the development of cracks generated from the cryogenic treatment of a borehole under no external confining stress on specimens. The experiments were performed on transparent PMMA specimens to observe fracture proliferation around boreholes. Liquid nitrogen was flowed through the boreholes to cool the borehole surface. The results show that initial fracture growth is characterized by abrupt starts and stops, and as the fracture propagates outward, the growth appears more continuous. In an early stage, horizontal/radial fractures and vertical fractures are the defining patterns. Horizontal fractures tend to be separated by a specific exclusion distance (i.e., spacing between cracks). While distinct horizontal/vertical fractures and exclusion distance manifest themselves at an early stage, fractures resulting from fracture interactions and curvatures can develop into complex shapes at later stages. Cryogenic thermal loading induces distinctively curved fractures. The tendency of curvature may prevent greater penetration. An increase in the borehole pressure during liquid nitrogen flow, however, can lessen fracture tortuosity and facilitate radial propagation. A high flow pressure and rate are also advantageous in that they accelerate cooling and fracture propagation.

42 ENGINEERING↗

Test Results of the First Pre-Series Quadrupole Magnets for the LHC Hi-Lumi Upgrade

The future high luminosity (Hi-Lumi) upgrade of the Large Hadron Collider (LHC) at CERN will include eight (plus two spares) 10.2 m-long Cryo-assemblies which will be components of the triplets for two LHC insertion regions. Each cold mass in the Cryo-assemblies will consist of two 4.2 m-long Nb 3 Sn high gradient quadrupole magnets, designated MQXFA, with aperture 150 mm and operating gradient 132.2 T/m, for a total of twenty magnets. Before assembling and testing the final cold masses at Fermilab, the component quadrupoles are being tested first at the vertical superconducting magnet test facility of the Superconducting Magnet Division (SMD) at Brookhaven National Laboratory (BNL), in superfluid He at 1.9 K and up to 18.0 kA, in accordance with operational requirements of the LHC. The tests of the first two full-length prototype quadrupole magnets MQXFAP1 and MQXFAP2 at BNL have been reported previously. The first two pre-series magnets, the first two that will be used in the LHC, have also now been tested. This paper reports on the quench test and training results of these two magnets. The test results of these magnets will be important for validating the final MQXFA design for operational magnets.

43 PARTICLE ACCELERATORS↗

Bipolar Membranes for Ion Management in (Photo)Electrochemical Energy Conversion

Conspectus (Photo)electrochemical energy conversion is important in the development of a carbon-neutral energy economy because it can provide a pathway for mitigating the intermittency of renewable energy sources such as wind and solar. In order to operate efficiently, these technologies, which include photoelectrochemical cells, water and CO 2 electrolyzers, fuel cells, and redox flow batteries, require fast charge transfer kinetics at the electrode/electrolyte interface as well as robust ion management in the electrolyte. In conventional electrolyzers and fuel cells, the electrolyte is strongly acidic or basic and ionic current is carried by H + or OH – ions. In contrast, photoelectrodes and electrocatalysts for water splitting are often studied in buffered solutions. The question of ion balance in these systems led us to analyze the polarization losses due to ion concentration gradients in cells that employed various buffer–membrane combinations. Continuously driving the buffer ions across an ionomer membrane not only lowers the buffer capacity of an aqueous electrolyte but also introduces pH gradients that result in significant energy losses. To address the problem, we and other groups have studied the use of reverse-biased bipolar membranes (BPMs) in (photo)electrolytic cells. BPMs consist of an anion exchange layer (AEL) laminated with a cation exchange layer (CEL) and are usually equipped with a catalytic layer in between to accelerate the water dissociation reaction. At the AEL/CEL interface, water dissociates into protons and hydroxide ions, which replenish those consumed at the cathode and anode. Compared to conventional water electrolyzers with proton/anion exchange membranes (PEM/AEM), BPM electrolyzers provide the unique advantage of continuously operating the cathode and anode under different pH conditions, which is desirable when the two electrode reactions have different pH requirements. BPMs also enable the use of buffered electrolytes at pH values that are optimized for electrode stability and product selectivity in applications such as CO 2 electrolysis. Product crossover losses and CO 2 pumping can be dramatically reduced in BPM-based CO 2 electrolyzers, relative to conventional alkaline membranes, by electrostatic repulsion (of anionic products) and electroosmotic drag (for neutral products). BPM-based gas fed CO 2 electrolyzers can achieve high current density, but they suffer from low Faradaic efficiency (FE) due to the acidic local environment of the CEL. This problem can be mitigated by adding an aqueous buffering layer or by creating a weak acid cation exchange film on the CEL face of the membrane. The use of BPMs in fuel cells and redox flow batteries offers some interesting advantages. Configurations with both reverse and forward bias have been studied, but forward bias has been favored due to material compatibility, reaction kinetics, and thermodynamic considerations. The net reaction at the AEL/CEL interface is the acid–base neutralization reaction, which has a high inherent reaction rate constant, but in the BPM is limited to a nanometric space-charge layer and requires efficient catalysis to achieve high current density. Understanding the mechanism of the acid–base neutralization and the opposite process, the water dissociation reaction, will be essential for improving the performance of forward-biased BPMs. In conclusion, this Account reviews our current understanding of the working mechanisms of BPMs and discusses how we can use them to effectively manage ions for various (photo)electrochemical applications.

Yan, Zhifei↗

Accelerator-Based Studies of Heavy Ion Interactions Relevant to Space Biomedicine

Evaluation of the effects of space radiation on the crews of long duration space missions must take into account the interactions of high energy atomic nuclei in spacecraft and planetary habitat shielding and in the bodies of the astronauts. These heavy ions (i.e. heavier than hydrogen), while relatively small in number compared to the total galactic cosmic ray (GCR) charged particle flux, can produce disproportionately large effects by virtue of their high local energy deposition: a single traversal by a heavy charged particle can kill or, what may be worse, severely damage a cell. Research into the pertinent physics and biology of heavy ion interactions has consequently been assigned a high priority in a recent report by a task group of the National Research Council. Fragmentation of the incident heavy ions in shielding or in the human body will modify an initially well known radiation field and thereby complicate both spacecraft shielding design and the evaluation of potential radiation hazards. Since it is impractical to empirically test the radiation transport properties of each possible shielding material and configuration, a great deal of effort is going into the development of models of charged particle fragmentation and transport. Accurate nuclear fragmentation cross sections (probabilities), either in the form of measurements with thin targets or theoretical calculations, are needed for input to the transport models, and fluence measurements (numbers of fragments produced by interactions in thick targets) are needed both to validate the models and to test specific shielding materials and designs. Fluence data are also needed to characterize the incident radiation field in accelerator radiobiology experiments. For a number of years, nuclear fragmentation measurements at GCR-like energies have been carried out at heavy ion accelerators including the LBL Bevalac, Saturne (France), the Synchrophasotron and Nuklotron (Dubna, Russia), SIS-18 (GSI, Germany), the Alternating Gradient Synchrotron at Brookhaven National Laboratory (BNL AGS) and the Heavy Ion Medical Accelerator (HIMAC) in Chiba, Japan. Until fairly recently most of these experiments were done to investigate fundamental problems in nuclear physics, but with the increasing interest in heavy charged particles on the part of the space flight, radiobiology and radiotherapy communities, an increasing number of experiments are being directed at these areas. Some of these measurements are discussed in references therein. Over the past several years, our group has taken cross section and fluence data at the AGS and HIMAC for several incident beams with nuclear charge, Z, between 6 and 26 at energies between 290 and 1050 MeV/nucleon. Iron (Z = 26) has been studied most extensively, since it is the heaviest ion present in significant numbers in the GCR. Targets have included tissue-equivalent and proposed shielding materials, as well as a variety of elemental targets for cross section measurements. Most of the data were taken along the beam axis, but measurements have been made off-axis, as well. Here we present selected data and briefly discuss some implications for spacecraft and planetary habitat design.

Miller, J.↗

Energetic ion distributions on both sides of the Earth's magnetopause

The Active Magnetospheric Particle Tracer Explorer/Charge Composition Explorer (AMPTE/CCE) spacecraft, with an apogee of approximately 8.8R(sub E) and an inclination of approximately 4.3 deg, sampled the outer dayside equatorial magnetosphere for extended time periods and often crossed into the magnetosheath whenever the solar wind pressure was sufficiently high to compress the magnetopause to less than 8.8R(sub E). We have analyzed ion distributions on both sides of the magnetopause in order to investigate any local time and energy dependence, giving information about physical processes at the magnetopause and the bow shock. Particle measurements are from the Charge Energy Mass (CHEM)(1.5 to 300 keV/e) and Medium-Energy Particle Analyzer (MEPA)(10 keV to 2 MeV) instruments. The wide total energy range (1.5 keV to 2 MeV) covered describes the magnetospheric distributions quite well, and for the purpose of this study, adequately describes the high-energy part of the shocked solar wind. Thus both solar wind and magnetospheric components can be recognized in a mixed particle distribution. Case studies of representative magnetopause crossings at dawn, noon, and dusk, as well as a survey of several other crossings, indicated: (1) a local time and energy dependence of magnetosheath spectra at energies greater than or equal to 50 KeV; spectra were harder at the duskside than at the dawnside and also correlated with magnetospheric activity, (2) constantly much higher intensities in the magnetosphere than in the magnetosheath at energies greater than 10 KeV and an earthward gradient in the subsolar magnetosheath. In addition to the steady state magnetosheath population there exists a burst-type component indicative of a magnetospheric source, and most of the time this is recognized as a flux transfer event. Overall, the results about the origin of the greater than or equal to 50 KeV magnetosheath ions are consistent with the continuous leakage of magnetospheric particles across a tangential discontinuity magnetopause, locally distributed according to magnetospheric drift paths. Magnetic reconnection, although present, should not be a dominant source on average, because it is not continuous in time. Fermi acceleration should not be dominant because it predicts the opposite local time asymmetry, and shock drift acceleration should be a minor contributor at E greater than or equal to 50 keV because of upper-energy cutoff limitations. Our observations also indicate a significant magnetospheric contribution to energies as low as approximately 10 KeV, where the magnetosphere-magnetosheath intensity gradient reverses. However, in orderto examine the relative strength and local time distribution of all possible sources at these energies, a detailed analysis is required.

Paschalidis, N. P↗