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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Compton scattering of the microwave background by quasar-blown bubbles

At least 10% of quasars drive rapid outflows from the central regions of their host galaxies. The mass and energy flow rates in these winds are difficult to measure, but their kinetic luminosities probably exceed 10(exp 45) ergs/s. This kind of outflow easily sunders the interstellar medium of the host and blows a bubble in the intergalactic medium. After the quasar shuts off, the hot bubble continues to shock intergalactic gas until its leading edge merges with the Hubble flow. The interior hot gas Compton scatters microwave background photons, potentially providing a way to detect these bubbles. Assuming that quasar kinetic luminosities scale with their blue luminosities, we integrate over the quasar luminosity function to find the total distortion (y) of the microwave background produced by the entire population of quasar wind bubbles. This calculation of y distortion is remarkably insensitive to the properties of the intergalactic medium (IGM), quasar lifetimes, and cosmological parameters. Current Cosmic Background Explorer (COBE) limits on y constrain the kinetic luminosities of quasars to be less than several times their bolometric radiative luminosities. Within this constraint, quasars can still expel enough kinetic luminosity to shock the entire IGM by z = 0, but cannot heat and ionize the IGM by z = 4 unless omega(sub IGM) much less than 10(exp -2).

Voit, G. Mark↗
NASA NTRS1999

Formation of Sprays From Conical Liquid Sheets

Our objective is to predict droplet size distributions created by fuel injector nozzles in Jet turbines. These results will be used to determine the initial conditions for numerical simulations of the combustion process in gas turbine combustors. To predict the droplet size distribution, we are currently constructing a numerical model to understand the instability and breakup of thin conical liquid sheets. This geometry serves as a simplified model of the liquid jet emerging from a real nozzle. The physics of this process is difficult to study experimentally as the time and length scales are very short. From existing photographic data, it does seem clear that three-dimensional effects such as the formation of streamwise ligaments and the pulling back of the sheet at its edges under the action of surface tension are important.

Peck, Bill↗
NASA NTRS2003

In Search of the Physics: The Interplay of Experiment and Computation in Slat Aeroacoustics

The synergistic use of experiments and numerical simulations can uncover the underlying physics of airframe noise sources. We focus on the high-lift noise component associated with a leading-edge slat; flap side-edge noise is discussed in a companion paper by Streett et al. (2003). The present paper provides an overview of how slat noise was split into subcomponents and analyzed with carefully planned complementary experimental and numerical tests. We consider both tonal and broadband aspects of slat noise. The predicted far-field noise spectra are shown to be in good qualitative (and, to lesser extent, good quantitative agreement) with acoustic array measurements. Although some questions remain unanswered, the success of current airframe noise studies provides ample promise that remaining technical issues can be successfully addressed in the near future.

Khorrami, Mehdi R.↗
NASA NTRS2011

Computational Analysis of the G-III Laminar Flow Glove

Under NASA's Environmentally Responsible Aviation Project, flight experiments are planned with the primary objective of demonstrating the Discrete Roughness Elements (DRE) technology for passive laminar flow control at chord Reynolds numbers relevant to transport aircraft. In this paper, we present a preliminary computational assessment of the Gulfstream-III (G-III) aircraft wing-glove designed to attain natural laminar flow for the leading-edge sweep angle of 34.6deg. Analysis for a flight Mach number of 0.75 shows that it should be possible to achieve natural laminar flow for twice the transition Reynolds number ever achieved at this sweep angle. However, the wing-glove needs to be redesigned to effectively demonstrate passive laminar flow control using DREs. As a by-product of the computational assessment, effect of surface curvature on stationary crossflow disturbances is found to be strongly stabilizing for the current design, and it is suggested that convex surface curvature could be used as a control parameter for natural laminar flow design, provided transition occurs via stationary crossflow disturbances.

Malik, Mujeeb R.↗
NASA NTRS2011

Use of Dual-Polarization Radar Variables to Assess Low-Level Wind Shear in Severe Thunderstorm Near-storm Environments in the Tennessee Valley

The upgrade of the National Weather Service (NWS) network of S ]band dual-polarization radars is currently underway, and the incorporation of polarimetric information into the real ]time forecasting process will enhance the forecaster fs ability to assess thunderstorms and their near ]storm environments. Recent research has suggested that the combination of polarimetric variables differential reflectivity (ZDR) and specific differential phase (KDP) can be useful in the assessment of low level wind shear within a thunderstorm. In an environment with strong low ]level veering of the wind, ZDR values will be largest along the right inflow edge of the thunderstorm near a large gradient in horizontal reflectivity (indicative of large raindrops falling with a relative lack of smaller drops), and take the shape of an arc. Meanwhile, KDP values, which are proportional to liquid water content and indicative of a large number of smaller drops, are maximized deeper into the forward flank precipitation shield than the ZDR arc as the smaller drops are being advected further from the updraft core by the low level winds than the larger raindrops. Using findings from previous work, three severe weather events that occurred in North Alabama were examined in order to assess the utility of these signatures in determining the potential for tornadic activity. The first case is from October 26, 2010, where a large number of storms indicated tornadic potential from a standard reflectivity and velocity analysis but very few storms actually produced tornadoes. The second event is from February 28, 2011, where tornadic storms were present early on in the event, but as the day progressed, the tornado threat transitioned to a high wind threat. The third case is from April 27, 2011, where multiple rounds of tornadic storms ransacked the Tennessee Valley. This event provides a dataset including multiple modes of tornadic development, including QLCS and supercell structures. The overarching goal of examining these three events is to compare dual ]polarization features from this larger dataset to previous work and to determine if these signatures can be a useful indication of the potential for tornadic activity associated with the amount of low ]level wind shear in the near ]storm environment.

Crowe, Christina C.↗
NASA NTRS2015

Crack Instability Predictions Using a Multi-Term Approach

Present crack instability analysis for fracture critical flight hardware is normally performed using a single parameter, K(sub C), fracture toughness value obtained from standard ASTM 2D geometry test specimens made from the appropriate material. These specimens do not sufficiently match the boundary conditions and the elastic‐plastic constraint characteristics of the hardware component, and also, the crack instability of most commonly used aircraft and aerospace structural materials have some amount of stable crack growth before fracture which makes the normal use of a K(sub C) single parameter toughness value highly approximate. In the past, extensive studies have been conducted to improve the single parameter (K or J controlled) approaches by introducing parameters accounting for the geometry or in‐plane constraint effects. Using 'J‐integral' and 'A' parameter as a measure of constraint is one of the most accurate elastic‐plastic crack solutions currently available. In this work the feasibility of the J‐A approach for prediction of the crack instability was investigated first by ignoring the effects of stable crack growth i.e. using a critical J and A and second by considering the effects of stable crack growth using the corrected J‐delta a using the 'A' parameter. A broad range of initial crack lengths and a wide range of specimen geometries including C(T), M(T), ESE(T), SE(T), Double Edge Crack (DEC), Three‐Hole‐Tension (THT) and NC (crack from a notch) manufactured from Al7075 were studied. Improvements in crack instability predictions were observed compared to the other methods available in the literature.

Zanganeh, Mohammad↗
DOE OSTI2020

Characterization of Transition Edge Sensors for the Simons Observatory

The Simons Observatory is building both large (6 m) and small (0.5 m) aperture telescopes in the Atacama Desert in Chile to observe the cosmic microwave background CMB radiation with unprecedented sensitivity. Simons Observatory telescopes in total will use over 60,000 transition edge sensor (TES) detectors spanning center frequencies between 27 and 285 GHz and operating near 100 mK. TES devices have been fabricated for the Simons Observatory by NIST, Berkeley, and HYPRES/SeeQC corporation. Iterations of these devices have been tested cryogenically in order to inform the fabrication of further devices, which will culminate in the final TES designs to be deployed in the field. The detailed design specifications have been independently iterated at each fabrication facility for particular detector frequencies. We present test results for prototype devices, with emphasis on NIST high frequency detectors. A dilution refrigerator was used to achieve the required temperatures. Measurements were taken both with 4-lead resistance measurements and with a time-domain Superconducting Quantum Interference Device (SQUID) multiplexer system. The SQUID readout measurements include analysis of current versus voltage (IV) curves at various temperatures, square wave bias step measurements, and detector noise measurements. Lastly, normal resistance, superconducting critical temperature, saturation power, thermal and natural time constants, and thermal properties of the devices are extracted from these measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Evidence for chiral superconductivity on a silicon surface

Tin adatoms on a Si(111) substrate with a one-third monolayer coverage form a two-dimensional triangular lattice with one unpaired electron per site. These electrons order into an antiferromagnetic Mott-insulating state, but doping the Sn layer with holes creates a two-dimensional conductor that becomes superconducting at low temperatures. Although the pairing symmetry of the superconducting state is currently unknown, the combination of repulsive interactions and frustration inherent in the triangular adatom lattice opens up the possibility of a chiral order parameter. Here we study the superconducting state of Sn/Si(111) using scanning tunneling microscopy, scanning tunneling spectroscopy and quasiparticle interference imaging. Here we find evidence for a doping-dependent superconducting critical temperature with a fully gapped order parameter, the presence of time-reversal symmetry breaking and a strong enhancement in zero-bias conductance near the edges of the superconducting domains. Although each individual piece of evidence could have a more mundane interpretation, our combined results suggest the possibility that Sn/Si(111) is an unconventional chiral d-wave superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Soret diffusion: A possible cause of compositional heterogeneity within tektites

Although a terrestrial origin for tektites is well-established on geochemical evidence, the physical processes involved in tektite formation have been largely ignored by geochemists and petrologists. For example, two observations that potentially bear on the physics of their origin are the following: (1) The flange of an australite is often more heterogeneous than its core; and (2) microtektites are compositionally more diverse than tektites. The first observation contradicts the traditional view of flange formation since a second heating to super-liquidus temperatures during atmospheric re-entry should, by chemical diffusion and mixing, have tended to homogenize the melt as it flowed off the leading edge of the core to form the flange. Analyses of an australite flange have been performed by electron microprobe. The results of those analyses emphasize the magnitude of the heterogeneity, as well as the well-defined elemental correlations that may constrain the process responsible for it. The second observation that the bulk compositions of microtektites are more divers than the tektites within the same strewnfield is a well-known characteristic, for which no quantitative explanation has been offered. The current investigation has involved the analysis of 43 Australasian microtektites from the Wharton Basin by electron microprobe, as well as trace-element abundances on fifteen of these microtecktites by INAA.

Delano, J. W.↗
NASA NTRS2003

Case Studies of Fatigue Life Improvement Using Low Plasticity Burnishing in Gas Turbine Engine Applications

Surface enhancement technologies such as shot peening, laser shock peening (LSP), and low plasticity burnishing (LPB) can provide substantial fatigue life improvement. However, to be effective, the compressive residual stresses that increase fatigue strength must be retained in service. For successful integration into turbine design, the process must be affordable and compatible with the manufacturing environment. LPB provides thermally stable compression of comparable magnitude and even greater depth than other methods, and can be performed in conventional machine shop environments on CNC machine tools. LPB provides a means to extend the fatigue lives of both new and legacy aircraft engines and ground-based turbines. Improving fatigue performance by introducing deep stable layers of compressive residual stress avoids the generally cost prohibitive alternative of modifying either material or design. The X-ray diffraction based background studies of thermal and mechanical stability of surface enhancement techniques are briefly reviewed, demonstrating the importance of minimizing cold work. The LPB process, tooling, and control systems are described. An overview of current research programs conducted for engine OEMs and the military to apply LPB to a variety of engine and aging aircraft components are presented. Fatigue performance and residual stress data developed to date for several case studies are presented including: * The effect of LPB on the fatigue performance of the nickel based super alloy IN718, showing fatigue benefit of thermal stability at engine temperatures. * An order of magnitude improvement in damage tolerance of LPB processed Ti-6-4 fan blade leading edges. * Elimination of the fretting fatigue debit for Ti-6-4 with prior LPB. * Corrosion fatigue mitigation with LPB in Carpenter 450 steel. *Damage tolerance improvement in 17-4PH steel. Where appropriate, the performance of LPB is compared to conventional shot peening after exposure to engine operating temperatures.

Prevey, Paul S.↗
NASA NTRS2009

The Transition of High-Resolution NASA MODIS Sea Surface Temperatures into the WRF Environmental Modeling System

The NASA Short-term Prediction Research and Transition (SPoRT) Center has developed a Moderate Resolution Imaging Spectroradiometer (MODIS) sea surface temperature (SST) composite at 2-km resolution that has been implemented in version 3 of the National Weather Service (NWS) Weather Research and Forecasting (WRF) Environmental Modeling System (EMS). The WRF EMS is a complete, full physics numerical weather prediction package that incorporates dynamical cores from both the Advanced Research WRF (ARW) and the Non-hydrostatic Mesoscale Model (NMM). The installation, configuration, and execution of either the ARW or NMM models is greatly simplified by the WRF EMS to encourage its use by NWS Weather Forecast Offices (WFOs) and the university community. The WRF EMS is easy to run on most Linux workstations and clusters without the need for compilers. Version 3 of the WRF EMS contains the most recent public release of the WRF-NMM and ARW modeling system (version 3 of the ARW is described in Skamarock et al. 2008), the WRF Pre-processing System (WPS) utilities, and the WRF Post-Processing program. The system is developed and maintained by the NWS National Science Operations Officer Science and Training Resource Coordinator. To initialize the WRF EMS with high-resolution MODIS SSTs, SPoRT developed the composite product consisting of MODIS SSTs over oceans and large lakes with the NCEP Real-Time Global (RTG) filling data over land points. Filling the land points is required due to minor inconsistencies between the WRF land-sea mask and that used to generate the MODIS SST composites. This methodology ensures a continuous field that adequately initializes all appropriate arrays in WRF. MODIS composites covering the Gulf of Mexico, western Atlantic Ocean and the Caribbean are generated daily at 0400, 0700, 1600, and 1900 UTC corresponding to overpass times of the NASA Aqua and Terra polar orbiting satellites. The MODIS SST product is output in gridded binary-1 (GRIB-1) data format for a seamless incorporation into WRF via the WPS utilities. The full-resolution, 1-km MODIS product is sub-sampled to 2-km grid spacing due to limitations in handling very large dimensions in the GRIB-1 data format. The GRIB-1 files are posted online at ftp://ftp.nsstc.org/sstcomp/WRF/, which is directly accessed by the WRF EMS scripts. The MODIS SST composites are also downloaded to the EMS data server, which is accessible by the WRF EMS users and NWS WFOs. The SPoRT MODIS SST composite provides the model with superior detail of the ocean gradients around Florida and surrounding waters, whereas the operational RTG SST typically depicts a relatively smooth field and is not able to capture sharp horizontal gradients in SST. Differences of 2-3 C are common over small horizontal distances, leading to enhanced SST gradients on either side of the Gulf Stream and along the edges of the cooler shelf waters. These sharper gradients can in turn produce atmospheric responses in simulated temperature and wind fields as depicted in LaCasse et al. Differences in atmospheric verification statistics over a several month study were generally small in the vicinity of south Florida; however, the validation of SSTs at specific buoy locations revealed important improvements in the biases and RMS errors, especially in the vicinity of the cooler shelf waters off the east-central Florida coast. A current weakness in the MODIS SST product is the occurrence of occasional discontinuities caused by high latency in SST coverage due to persistent cloud cover. An enhanced method developed by Jedlovec et al. (2009, GHRSST User Symposium) reduces the occurrence of these problems by adding Advanced Microwave Scanning Radiometer -- EOS (AMSR-E) SST data to the compositing process. Enhanced SST composites are produced over the ocean regions surrounding the Continental U.S. at four times each day corresponding to Terra and Aqua equator crossing times. For a given day and overpass time, both MODInd AMSR-E data from the previous seven days form a collection used in the compositing. At each MODIS pixel, cloud-free SST values from the collection are used to form a weighted average based on their latency (number of days from the current day). In this way, recent SST data are given more weight than older data. One of the primary issues involved in incorporating the AMSR-E microwave data in the composites is the tradeoff between the decreased spatial resolution of the AMSR-E data (25 km) and the increased coverage due to its near all-weather capability. Currently, the AMSR-E is given a weight of 20% compared to MODIS data, thereby preserving the spatial structure observed in the MODIS data. Day-time (night-time) AMSR-E SST data from Aqua are used with both Terra and Aqua MODIS day-time (night-time) SST data sets.

Case, Jonathan L.↗
DOE OSTI2026

Low resistance p-type contacts to monolayer WSe2 through chlorinated solvent doping

Tungsten diselenide (WSe 2 ) is a promising p-type semiconductor limited by high contact resistance (R C ) and the lack of a reliable doping strategy. Here, we demonstrate that exposing WSe 2 to chloroform provides simple and stable p-type doping. In monolayer WSe 2 transistors with Pd contacts, chloroform increases the maximum hole current by over 100× (>200 µA/µm), reduces R C to ~ 2.5 kΩ·μm, and retains an on/off ratio of 10 10 at room temperature. These improvements persist for over 8 months, survive a 150 °C thermal anneal, and remain effective down to 10 K, enabling a cryogenic R C of ~ 1 kΩ·μm. Density functional theory indicates that chloroform strongly physisorbs to WSe 2 , inducing hole doping with minimal impact on the electronic states between the valence band and conduction band edges. Auger electron spectroscopy and atomic force microscopy suggest that chloroform intercalates at the WSe 2 interface with the gate oxide, contributing to doping stability and mitigating interfacial dielectric disorder, though further studies are needed to conclusively confirm this mechanism. This robust, scalable approach enables high-yield WSe 2 transistors with good p-type performance.

42 ENGINEERING↗
DOE OSTI2021

A model investigation of the impact of lower hybrid wave scattering angle on current drive profile in EAST and Alcator C-Mod

Lower hybrid current drive (LHCD) is beneficial for developing a steady-state operation scenario in a tokamak. This paper conducts a modeling investigation to identify an optimum rotation angle of the initial lower hybrid perpendicular (to the background magnetic field $\overrightarrow{B}$) wavevector for best matching the experimental RF current profile. It is hypothesized that central RF power deposition widely observed in the present-day LHCD experiments arises from wave scattering by turbulence. In a standard model without considering such interactions, the predicted power deposition profile is generally broad with off-axis peaking, not in agreement with experimental observations. A heuristic approach is adopted by introducing a spectral broadening mechanism by modifying the initial orientation of the perpendicular wavevector. The ray-tracing/Fokker–Planck solver GENRAY/CQL3D is utilized within the python-based π-scope framework. A focus is given to identify the perpendicular wavenumber orientation angle with respect to the magnetic surface normal vector at the initial ray location. Our modeling study shows that rotating the perpendicular wavevector in such a way as to increase the initial poloidal component is effective in reproducing the centrally peaked current profile observed in normal shear plasmas on both EAST and C-Mod. These waves can readily be absorbed to the central plasma, which reduces the sensitivity of the power deposition profile to a slight change of the plasma condition. The same approach is also found to help broaden the off-axis power deposition profile in a reverse-shear EAST plasma, leading to a better agreement with the experiment. The results presented here suggest that spectral modification arising from edge density fluctuations in a tokamak may need to be considered in understanding wave propagation and absorption. A further experimental and theoretical/modeling study is vital as a reverse approach is adopted in this study. Finally, our work suggests that mitigation or control measures are critical for parasitic effects occurring on the first pass in a reactor regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Microsecond-latency feedback at a particle accelerator by online reinforcement learning on hardware

The commissioning and operation of future large-scale scientific experiments will challenge current tuning and control methods. Reinforcement learning (RL) algorithms are a promising solution due to their ability to dynamically adapt to changing environments and consider delayed consequences. In many real-world applications, RL policies must produce actions in real time, often within microseconds to milliseconds, imposing significant constraints on system latency and computational overhead that conventional machine learning libraries are not designed to handle. To control phenomena in real time at these timescales, RL needs to be deployed on-the-edge, namely on dedicated hardware located near the system it controls, without relying on a host CPU or cloud-based inference. In this work we present the design and deployment of an experience accumulator system in a particle accelerator. In this system, deep-RL algorithms run using hardware acceleration and act within a few microseconds, enabling the use of RL for control of phenomena like beam instabilities. The training uses the collected data offline to reduce the number of operations carried out on the acceleration hardware. The proposed architecture was tested in real experimental conditions at the Karlsruhe research accelerator, a synchrotron light source, where the system was used to control artificially induced horizontal betatron oscillations in real-time, with a control loop period of just 2.7 μs. The results showed a performance comparable to the commercial feedback system available at the accelerator, demonstrating the viability and potential of this approach. Due to the self-learning and reconfiguration capability of this implementation, a seamless application to other control problems is possible. Applications range from particle accelerators to large-scale research and industrial facilities.

FPGA↗
NASA NTRS2002

Optimal Aircraft Control Upset Recovery With and Without Component Failures

This paper treats the problem of recovering sustainable nondescending (safe) flight in a transport aircraft after one or more of its control effectors fail. Such recovery can be a challenging goal for many transport aircraft currently in the operational fleet for two reasons. First, they have very little redundancy in their means of generating control forces and moments. These aircraft have, as primary control surfaces, a single rudder and pairwise elevators and aileron/spoiler units that provide yaw, pitch, and roll moments with sufficient bandwidth to be used in stabilizing and maneuvering the airframe. Beyond this, throttling the engines can provide additional moments, but on a much slower time scale. Other aerodynamic surfaces, such as leading and trailing edge flaps, are only intended to be placed in a position and left, and are, hence, very slow-moving. Because of this, loss of a primary control surface strongly degrades the controllability of the vehicle, particularly when the failed effector becomes stuck in a non-neutral position where it exerts a disturbance moment that must be countered by the remaining operating effectors. The second challenge in recovering safe flight is that these vehicles are not agile, nor can they tolerate large accelerations. This is of special importance when, at the outset of the recovery maneuver, the aircraft is flying toward the ground, as is frequently the case when there are major control hardware failures. Recovery of safe flight is examined in this paper in the context of trajectory optimization. For a particular transport aircraft, and a failure scenario inspired by an historical air disaster, recovery scenarios are calculated with and without control surface failures, to bring the aircraft to safe flight from the adverse flight condition that it had assumed, apparently as a result of contact with a vortex from a larger aircraft's wake. An effort has been made to represent relevant airframe dynamics, acceleration limits, and actuator limits faithfully, since these contribute to the lack of agility and control power that plays an important role in defining what can be achieved with the vehicle when it is in extremis.

Sparks, Dean W.↗
NASA NTRSDate not supplied

Ground control points refresh for MODIS and VIIRS geolocation monitoring

The Control Point Matching (CPM) program and a set of over 1200 globally distributed ground control points (GCPs ) have been successfully used to develop more than 20 years of MODIS geolocation products. In this research, we refresh current GCP library with more than 2500 new GCPs using the latest Landsat 8 Collection 2 images. The refreshed GCPs are distributed from 56 S to 80 N latitude, with more than 2000 shoreline and 500 inland GCP chips. The size of these GCPs are extended from800*800 to 1400*1400 Landsat pixels and the CPM program correspondingly increase s t h e searching distance from 0.8 pixels to 2.5 pixels, which also extends the geolocation error measurement from +/-45 to the edge of scan at +/-55 degree in scan angle. This will allow the algorithm to catch geolocation errors that are larger than one MODIS pixel. The geolocation errors measured with the refreshed GCP library are comparable to the previous results, yet with 2-3more times of matched GCPs. The daytime Aqua ascending orbits and Terra descending orbits enable us to identify a few GCP outliers which might be due to the quality of the original Landsat images. Most importantly, the refreshed GCP library will include images from both Landsat band 4 to match with VIIRS I1, and Landsat band 6 to match with VIIRS I3. This will allow us to measure and correct on orbit band-to-band registration at both track and scan directions, which will help understanding and improving future JPSS mission’s prelaunch geometric performance.

VIIRS↗
DOE OSTI2025

X-ray Absorption Spectroscopy of Dilute Metalloenzymes at X-ray Free-Electron Lasers in a Shot-by-Shot Mode

X-ray absorption spectroscopy (XAS) of 3d transition metals provides important electronic structure information for many fields. However, X-ray-induced radiation damage under physiological temperature has prevented using this method to study dilute aqueous systems, such as metalloenzymes, as the catalytic reaction proceeds. Here we present a new approach to enable operando XAS of dilute biological samples and demonstrate its feasibility with K-edge XAS spectra from the Mn cluster in photosystem II and the Fe–S centers in photosystem I. This approach combines highly efficient sample delivery strategies and a robust signal normalization method with high-transmission Bragg diffraction-based spectrometers at X-ray free-electron lasers (XFELs) in a damage-free, shot-by-shot mode. These photon-out spectrometers have been optimized for discriminating the metal Mn/Fe Kα fluorescence signals from the overwhelming scattering background present on currently available detectors for XFELs that lack suitable energy discrimination. We quantify the enhanced performance metrics of the spectrometer and discuss its potential applications for acquiring time-resolved XAS spectra of biological samples during their reactions at XFELs.

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

Using Machine Learning for Quantum Annealing Accuracy Prediction

Quantum annealers, such as the device built by D-Wave Systems, Inc., offer a way to compute solutions of NP-hard problems that can be expressed in Ising or quadratic unconstrained binary optimization (QUBO) form. Although such solutions are typically of very high quality, problem instances are usually not solved to optimality due to imperfections of the current generations quantum annealers. In this contribution, we aim to understand some of the factors contributing to the hardness of a problem instance, and to use machine learning models to predict the accuracy of the D-Wave 2000Q annealer for solving specific problems. We focus on the maximum clique problem, a classic NP-hard problem with important applications in network analysis, bioinformatics, and computational chemistry. By training a machine learning classification model on basic problem characteristics such as the number of edges in the graph, or annealing parameters, such as the D-Wave’s chain strength, we are able to rank certain features in the order of their contribution to the solution hardness, and present a simple decision tree which allows to predict whether a problem will be solvable to optimality with the D-Wave 2000Q. We extend these results by training a machine learning regression model that predicts the clique size found by D-Wave.

97 MATHEMATICS AND COMPUTING↗