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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Marine Corps Base Camp Lejeune Greenness Loss from 1984 to 1998

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of development pressures in surrounding areas, impairments due to other anthropogenic disturbances, and increasing requirements for compliance with environmental regulations. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and to optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a minimum 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the first six years of the program (DCERP1) are presented here.The overarching objectives of DCERP are to: (1) understand the effects of military training activities, infrastructure development, and other coastal military installations; (2) develop models, tools, and indicators to evaluate ecosystem health; and (3) recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.This data package contains Loss of Green Vegetation between 1984 and 1998 from Landsat TM5 images. Results are based on the difference in the Tassle Cap greenness band recorded in 1984 and the greenness recorded in 1998. This Intensity of green loss was then developed into a five category green loss classification using the mean and standard deviation of the green loss difference data set, standardized to the 1984-2007 time period: 0. No green loss, green gain, or background 1. No significant change; values > 0 to =< 0.0035 (mean - SD) 2. Light green loss, reduced forest, impacted veg, etc; values > 0.0035 to =< 0.04556 (mean) 3. Moderate green loss; values > 0.04556 to =< 0.0876 (mean + SD) 4. Heavy green loss; values > 0.0876 to max. Classes 2,3, and 4 are retained as significant green loss locations. Polygon patches are labeled with the intensity value in the attribute 'GRIDCODE'. Greenness loss in this area is a good indicator of human impact and development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Measuring and modeling diffuse scattering in protein X-ray crystallography

X-ray diffraction has the potential to provide rich information about the structural dynamics of macromolecules. To realize this potential, both Bragg scattering, which is currently used to derive macromolecular structures, and diffuse scattering, which reports on correlations in charge density variations, must be measured. Until now, measurement of diffuse scattering from protein crystals has been scarce because of the extra effort of collecting diffuse data. Here, we present 3D measurements of diffuse intensity collected from crystals of the enzymes cyclophilin A and trypsin. The measurements were obtained from the same X-ray diffraction images as the Bragg data, using best practices for standard data collection. To model the underlying dynamics in a practical way that could be used during structure refinement, we tested translation–libration–screw (TLS), liquid-like motions (LLM), and coarse-grained normal-modes (NM) models of protein motions. The LLM model provides a global picture of motions and was refined against the diffuse data, whereas the TLS and NM models provide more detailed and distinct descriptions of atom displacements, and only used information from the Bragg data. Whereas different TLS groupings yielded similar Bragg intensities, they yielded different diffuse intensities, none of which agreed well with the data. In contrast, both the LLM and NM models agreed substantially with the diffuse data. In conclusion, these results demonstrate a realistic path to increase the number of diffuse datasets available to the wider biosciences community and indicate that dynamics-inspired NM structural models can simultaneously agree with both Bragg and diffuse scattering.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2000

Level 1 Processing of MODIS Direct Broadcast Data From Terra

In February 2000, an effort was begun to adapt the Moderate Resolution Imaging Spectroradiometer (MODIS) Level 1 production software to process direct broadcast data. Three Level 1 algorithms have been adapted and packaged for release: Level 1A converts raw (level 0) data into Hierarchical Data Format (HDF), unpacking packets into scans; Geolocation computes geographic information for the data points in the Level 1A; and the Level 1B computes geolocated, calibrated radiances from the Level 1A and Geolocation products. One useful aspect of adapting the production software is the ability to incorporate enhancements contributed by the MODIS Science Team. We have therefore tried to limit changes to the software. However, in order to process the data immediately on receipt, we have taken advantage of a branch in the geolocation software that reads orbit and altitude information from the packets themselves, rather than external ancillary files used in standard production. We have also verified that the algorithms can be run with smaller time increments (2.5 minutes) than the five-minute increments used in production. To make the code easier to build and run, we have simplified directories and build scripts. Also, dependencies on a commercial numerics library have been replaced by public domain software. A version of the adapted code has been released for Silicon Graphics machines running lrix. Perhaps owing to its origin in production, the software is rather CPU-intensive. Consequently, a port to Linux is underway, followed by a version to run on PC clusters, with an eventual goal of running in near-real-time (i.e., process a ten-minute pass in ten minutes).

Lynnes, Christopher↗
NASA NTRS2023

Technical Note: NASAaccess – A Tool for Access, Reformatting, and Visualization of Remotely Sensed Earth Observation and Climate Data

The National Aeronautics and Space Administration (NASA) has launched a new initiative, the Open-Source Science Initiative (OSSI), to enable and support science towards openness. The OSSI supports open-source software development and dissemination. In this work, we present NASAaccess, which is an open-source software package and web-based environmental modeling application for earth observation data accessing, reformatting, and presenting quantitative data products. The main objective of developing the NASAaccess platform is to facilitate exploration, modeling, and understanding of earth data for scientists, stakeholders, and concerned citizens whose objectives align with the new OSSI goals. The NASAaccess platform is available as software packages (i.e., the R and conda packages) as well as an interactive-format web-based environmental modeling application for earth observation data developed with Tethys Platform. NASAaccess has been envisioned as lowering the technical barriers and simplifying the process of accessing scalable distributed computing resources and leveraging additional software for data and computationally intensive modeling frameworks. Specifically, NASAaccess has been developed to meet the need for seamless earth observation remote-sensing and climate data ingestion into various hydrological modeling frameworks. Moreover, NASAaccess is also contributing to keeping interested parties and stakeholders engaged with environmental modeling, accessing the information available in various remote-sensing products. NASAaccess' current capabilities cover various NASA datasets and products that include the Global Precipitation Measurement (GPM) data products, the Global Land Data Assimilation System (GLDAS) land surface states and fluxes, and the NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) Coupled Model Intercomparison Project Phase 5 (CMIP5) and Coupled Model Intercomparison Project Phase 6 (CMIP6) climate change dataset products.

Ibrahim Nourein Mohammed↗
DOE OSTI2011

Simulations of neutron emission in the irradiation of deuterated polyethylene by ultrahigh-intensity laser pulses

The neutron yield from deuterated polyethylene targets irradiated by ultrahigh-intensity laser pulses was calculated in a wide range of pulse energies. The resultant data are in better agreement with available experimental data than the data of the corresponding simulations performed by other authors earlier. The neutron pulse duration was shown to exceed the laser pulse duration by more than an order of magnitude. We also showed that the neutron yield accompanying the irradiation of a laminated target of deuterated polyethylene is, thanks to redistribution of deuteron fluxes in its volume, substantially higher in comparison with the irradiation of a continuous target (effects of laser radiation on matter)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Observation of Ion Electrosorption in Metal–Organic Framework Micropores with In Operando Small-Angle Neutron Scattering

A molecular-level understanding of transport and adsorption mechanisms of electrolyte ions in nanoporous electrodes under applied potentials is essential to control the performance of double-layer capacitors. In this paper, in operando small-angle neutron scattering (SANS) is used to directly detect ion movements into the nanopores of a conductive metal–organic framework (MOF) electrode under operating conditions. Neutron-scattering data reveals that most of the void space within the MOF is accessible to the solvent. Upon the addition of the electrolyte sodium triflate (NaOTf), the ions are adsorbed on the outer surface of the protrusions to form a 30 Å layer instead of entering the ionophobic pores in the absence of an applied charging potential. The changes in scattering intensity when potentials are applied suggests the ion rearrangement in the micropores following different mechanisms depending on the electrode polarization. These observations shed insights on ion electrosorption in electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Quantitative Infrared Intensity Studies of Vapor-Phase Glyoxal, Methylglyoxal, and 2,3-Butanedione (Diacetyl) with Vibrational Assignments

Glyoxal, methylglyoxal, and 2,3-butanedione (diacetyl) are all known biomass burning effluents and suspected aerosol precursors. Pressure-broadened quantitative infrared spectra of glyoxal, methylglyoxal, and diacetyl vapors covering the 520–6500 cm –1 range are reported at 0.112 cm –1 resolution, each with a composite spectrum derived from a minimum of 10 different sample pressures for the compound, representing some of the first quantitative intensity data for these analytes. Many vibrational assignments for methylglyoxal are reported for the first time, as are some near-IR and far-IR bands of glyoxal and diacetyl. To complete the vibrational assignments, the far-infrared spectra (25–600 cm –1 ) of all three vapors are also reported, those of methylglyoxal for the first time. Density functional theory and ab initio MP2 theory are used to help assign vibrational modes. Finally, potential bands for atmospheric monitoring are discussed.

09 BIOMASS FUELS↗
DOE OSTI2015

The NO v A simulation chain

The NO v A experiment is a two-detector, long-baseline neutrino experiment operating in the recently upgraded NuMI muon neutrino beam. Simulating neutrino interactions and backgrounds requires many steps including: the simulation of the neutrino beam flux using FLUKA and the FLUGG interface, cosmic ray generation using CRY, neutrino interaction modeling using GENIE, and a simulation of the energy deposited in the detector using GEANT4. To shorten generation time, the modeling of detector-specific aspects, such as photon transport, detector and electronics noise, and readout electronics, employs custom, parameterized simulation applications. We will describe the NO v A simulation chain, and present details on the techniques used in modeling photon transport near the ends of cells, and in developing a novel data-driven noise simulation. Due to the high intensity of the NuMI beam, the Near Detector samples a high rate of muons originating in the surrounding rock. In addition, due to its location on the surface at Ash River, MN, the Far Detector collects a large rate ((˜) 140 kHz) of cosmic muons. Furthermore, we will discuss the methods used in NO v A for overlaying rock muons and cosmic ray muons with simulated neutrino interactions and show how realistically the final simulation reproduces the preliminary NO v A data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-I-87: Calibrating Cherenkov Emission to Match Superficial Dose in Tissue

Purpose: Through Monte Carlo simulations and phantom studies, the dominant factors affecting the calibration of superficial Cherenkov intensity to absolute surface dose was investigated, including tissue optical properties, curvatures, beam properties and imaging angle. Methods: The phasespace files for the TrueBeam system from Varian were used in GAMOS (a GEANT4 based Monte Carlo simulation toolkit) to simulate surface emission Cherenkov signals and the correlated deposited dose. The parameters examined were: i) different tissue optical properties (skin color from light to dark), ii) beam types (X-ray and electron beam), iii) beam energies, iv) thickness of tissues (2.5 cm to 20 cm), v) SSD (80 cm to 120 cm), vi) field sizes (0.5×0.5 cm2 to 20×20 cm2), vii) entrance/exit sides, viii) curvatures (cylinders with diameters from 2.5 cm to 20cm) and ix) imaging angles (0 to 90 degrees). In a specific case, for any Cherenkov photon emitted from the surface, the original position and direction, final position and direction and energy were recorded. Similar experimental measurements were taken in a range of the most pertinent parameters using tissue phantoms. Results: Combining the dose distribution and sampling sensitivity of Cherenkov emission, quantitatively accurate calibration factors (the amount of radiation dose represented by a single Cherenkov photon) were calculated. The data showed relatively large dependence upon different optical properties, curvature, entrance/exit and beam types. For a diffusive surface, the calibration factor was insensitive to imaging angles smaller than 60 degrees. Normalization with the reflectance image was experimentally validated as a simple and accurate method for calibrations of different optical properties. Conclusion: This study sheds light on how and to what extent different conditions affect the calibration from Cherenkov intensity to absolute superficial dose and provides practical solutions to allow quantitative Cherenkov imaging to be used as a dose surrogate for imaging.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The CanBikeCO Mini Pilot: Preliminary Results and Lessons Learned

In fall 2020, the Colorado Energy Office, as part of the State of Colorado’s “Can Do Colorado” initiative, initiated a project aimed at encouraging energy-efficient transportation during the COVID-19 pandemic. The initial mini-pilot provided e-bikes to 13 low-income households under an individual ownership model. This report assesses the impact of providing this additional mobility option on the travel behavior of participants. It also outlines the lessons learned from deploying a continuous monitoring platform to track the travel behavior. These lessons will influence the evaluation component for the full pilot, which will cover multiple geographic regions, starting in summer 2021, and run for 2 years. The continuous data collection was enabled by a customized version of the open-source e-mission platform, called CanBikeCO, configured with a behavioral gamification feature. The Colorado Energy Office used this system to collect a unique data set consisting of 3 months of partially automated travel diaries, combining sensed and surveyed data and linked with demographic information, from 12 participants. The data collection process worked well overall: users generally liked the app, appreciated the game, and did not complain about battery life. The long tracking period introduced behavioral challenges in user engagement, which we plan to address using repeated patterns and automated status checks for the full pilot. The analysis results, based on the subset of trips with user-reported labels (68%), indicate that the e-bike was the dominant commute mode share (31%), in sharp contrast to the census bicycle commute mode share (<1%). E-bike trips primarily replaced single-occupancy vehicle (SOV) trips (28%), followed closely by walking (24%) and regular bike (20%). The nonmotorized mode replacement corresponds to lower travel time and increased productivity enabled by the program. The emissions impact analysis of the program, computed using trip-level energy intensity factors, indicates savings of 1,367 lbs. of CO 2 . Although the results are strongly positive, the narrow demographic profile of study participants, their limited mobility alternatives, and nonuniform labeling indicate caution in broader interpretation. These preliminary results do suggest that such programs, supported by real-time education and support from program managers, can simultaneously meet equity and sustainability goals. The planned full pilot, addressing the data collection challenges and broadening the geographic scope, will provide additional insights into the generality of this approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

Application of pixel-cell detector technology for Advanced Neutron Beam Monitors

Application of Pixel-Cell Detector Technology for Advanced Neutron Beam Monitors Specifications of currently available neutron beam detectors limit their usefulness at intense neutron beams of large-scale national user facilities used for the advanced study of materials. A large number of neutron-scattering experiments require beam monitors to operate in an intense neutron beam flux of >10E+7 neutrons per second per square centimeter. For instance, a 4 cm x 4 cm intense beam flux of 6.25 x 10E+7 n/s/cm2 at the Spallation Neutron Source will put a flux of 1.00 x 10E+9 n/s at the beam monitor. Currently available beam monitors with a typical efficiency of 1 x 10E-4 will need to be replaced in less than two years of operation due to wire and gas degradation issues. There is also a need at some instruments for beam position information that are beyond the capabilities of currently available He-3 and BF3 neutron beam monitors. ORDELA, Inc.’s research under USDOE SBIR Grant (DE-FG02-07ER84844) studied the feasibility of using pixel-cell technology for developing a new generation of stable, long-life neutron beam monitors. The research effort has led to the development and commercialization of advanced neutron beam detectors that will directly benefit the Spallation Neutron Source and other intense neutron sources such as the High Flux Isotope Reactor. A prototypical Pixel-Cell Neutron Beam Monitor was designed and constructed during this research effort. This prototype beam monitor was exposed to an intense neutron beam at the HFIR SNS HB-2 test beam site. Initial measurements on efficiency, uniformity across the detector, and position resolution yielded excellent results. The development and test results have provided the required data to initiate the fabrication and commercialization of this next generation of neutron-detector systems. ORDELA, Inc. has (1) identified low-cost design and fabrication strategies, (2) developed and built pixel-cell detectors and instrumented a 64-pixel-cell detector to specifications for the Cold-Neutron Chopper Spectrometer and POWGEN instruments, (3) investigated the general characteristics of this technology, (4) studied pixel-cell configurations and arrived at an optimized modular design, and (5) evaluated fabrication costs of mass production for these configurations. The resulting technology will enable a complete line of pixel-cell-based neutron detectors to be commercially under available. ORDELA, Inc has a good track history of application of innovative technology into the marketplace. Our commercialization record reflects this. For additional information, please contact Daniel Kopp at ORDELA, Inc. at +1 (865) 483-8675 or check our website at www.ordela.com.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Using simple PID-inspired controllers for online resilient resource management of distributed scientific workflows

Scientific workflows have become mainstream for conducting large-scale scientific research. As a result, many workflow applications and Workflow Management Systems (WMSs) have been developed as part of the cyberinfrastructure to allow scientists to execute their applications seamlessly on a range of distributed platforms. Although the scientific community has addressed this challenge from both theoretical and practical approaches, failure prediction, detection, and recovery still raise many research questions. In this paper, we propose an approach inspired by the control theory developed as part of autonomic computing to predict failures before they happen, and mitigated them when possible. The proposed approach is inspired on the proportional–integral–derivative controller (PID controller) control loop mechanism, which is widely used in industrial control systems, where the controller will react to adjust its output to mitigate faults. PID controllers aim to detect the possibility of a non-steady state far enough in advance so that an action can be performed to prevent it from happening. To demonstrate the feasibility of the approach, we tackle two common execution faults of large scale data-intensive workflows—data storage overload and memory overflow. We developed a simulator, which implements and evaluates simple standalone PID-inspired controllers to autonomously manage data and memory usage of a data-intensive bioinformatics workflow that consumes/produces over 4.4 TB of data, and requires over 24 TB of memory to run all tasks concurrently. Experimental results obtained via simulation indicate that workflow executions may significantly benefit from the controller-inspired approach, in particular under online and unknown conditions. Simulation results show that nearly-optimal executions (slowdown of 1.01) can be attained when utilizing our proposed method, and faults are detected and mitigated far in advance of their occurrence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Synthesis, structural, optical and Raman studies of pure and lanthanum doped ZnSe nanoparticles

Graphical abstract: - Highlights: • Template-free synthesis of ZnSe and ZnSe:La nanoparticles was developed at low temperature 100 °C. • Cubic ZnSe and ZnSe:La nanoparticles were obtained by chemical route. • As-synthesized ZnSe:La nanoparticles showed higher emission intensity than ZnSe nanoparticles. • Band gap (E{sub g}) of ZnSe nanoparticles was bigger than ZnSe nanoparticles due to nanosized effect. - Abstract: In this work, a simple, effective and reproducible chemical synthetic route for the production of high-quality, pure ZnSe nanoparticles (NPs), and lanthanum-doped ZnSe (ZnSe:La) NPs is presented. The wide bandgap, luminescent pure ZnSe and ZnSe:La NPs has been synthesized at a low temperature (100 °C) in a single template-free step. The size and optical bandgap of the NPs was analyzed from powder X-ray diffraction (XRD), UV–visible (UV–vis) spectroscopy, transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HRTEM). A broad photoluminescence (PL) emission across the visible spectrum has been demonstrated by a systematic blue-shift in emission due to the formation of small nanoparticles. Here, contribution to emission intensity from surface states of NPs increases with La doping. TEM data revealed that the average size of ZnSe and ZnSe:La NPs is 14 and 8 nm, respectively. On the other hand, band gap energy E{sub g} of ZnSe and ZnSe:La NPs were found to be 3.59 eV and 3.65 eV, respectively. Results showed that hydrazine hydrate played multiple roles in the formation of ZnSe and ZnSe:La NPs. A possible reaction mechanism for the growth of NPs is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of Sea Spray on Microphysics and Intensity of Deep Convective Clouds Under Strong Winds

Deep convective clouds similar to those arising in the tropical cyclone eyewall are simulated using a parcel model and 2–D slab symmetric cloud model with spectral bin microphysics (the Hebrew University Cloud Model). The size distribution of sea spray particles (SSPs) at cloud base is calculated using the Lagrangian–Eulerian bin microphysics model. The model describes the SSP production, advection, and formation of the size distribution of SSP in the hurricane atmospheric boundary layer at different strong wind speeds. The SSP distributions calculated by the Lagrangian–Eulerian bin microphysics model are used in the parcel model and the Hebrew University Cloud Model to investigate the microphysical and dynamical effects of SSP on clouds. The SSPs ascending in cloud updrafts dramatically increase the number concentration of cloud drops within a wide range of drop sizes. As a result, sea spray creates clouds with unique property combinations of both maritime and continental types. These clouds have droplet size distributions characterized by a high drop concentration and a low effective radius, as in continental clouds. At the same time, the presence of SSP of a few hundred microns in radii triggers intense rain just above the cloud base, which is typical of extreme maritime clouds. In the presence of large sea spray drops, the smallest cloud condensational nuclei, including the smallest SSP, are activated, giving rise to the permanent in–cloud nucleation of small droplets, which produce a high concentration of small ice crystals above the level of homogeneous freezing. We showed that the SSP substantially increased the maximum vertical velocity, cloud water content, and mass contents of ice particles. Here, the results are compared with available observed data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Coherent growth of superconducting TiN thin films by plasma enhanced molecular beam epitaxy

We have investigated the formation of titanium nitride (TiN) thin films on (001) MgO substrates by molecular beam epitaxy and radio frequency acitvated nitrogen plasma. Although cubic TiN is stabile over a wide temperature range, superconducting TiN films are exclusively obtained when the substrate temperature exceeds 710 Degree-Sign C. TiN films grown at 720 Degree-Sign C show a high residual resistivity ratio of approximately 11 and the superconducting transition temperature (T{sub c}) is well above 5 K. Superconductivity has been confirmed also by magnetiztion measurements. In addition, we determined the upper critical magnetic field ({mu}{sub 0}H{sub c2}) as well as the corresponding coherence length ({xi}{sub GL}) by transport measurements under high magnetic fields. High-resolution transmission electron microscopy data revealed full in plane coherency to the substrate as well as a low defect density in the film, in agreement with a mean-free path length Script-Small-L Almost-Equal-To 106 nm, which is estimated from the residual resistivity value. The observations of reflection high energy electron diffraction intensity oscillations during the growth, distinct Laue fringes around the main Bragg peaks, and higher order diffraction spots in the reciprocal space map suggest the full controlability of the thickness of high quality superconducting TiN thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Photonically excited electron emission from modified graphitic nanopetal arrays

Efficient electron emission for energy conversion requires a low work function and a stable emitter material. The work function of graphene-based carbon materials can decrease significantly by intercalation with alkali metals, thus increasing their emission current. In this work, electron emission from potassium-intercalated carbon nanosheet extensions grown on electrode graphite is investigated. These petal-like structures, composed of 5-25 layers of graphene, are synthesized using microwave plasma chemical vapor deposition. Samples are intercalated with potassium, and a hemispherical energy analyzer is used to measure the emission intensity caused by both thermal and photonic excitation. The emission from the potassium-intercalated structures is found to consistently decrease the work function by 2.4 to 2.8 eV relative to non-intercalated samples. High emission intensity induced by photonic excitation from a solar simulator, with a narrow electron energy distribution relative to established theory, suggests that electron scattering decreases emitted electron energy as compared to surface photoemission. A modified photoemission theory is applied to account for electron scattering, and the sample work function and mean number of scattering events are used as parameters to fit theory to experimental data. The thermal stability of the intercalated nanopetals is investigated, and after an initial heating and cooling cycle, the samples are stable at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Bayesian Gaussian process inference for neutron spin echo measurement

Neutron spin echo (NSE) spectroscopy provides unique access to microscopic dynamics, but its application is often constrained by low neutron flux, long acquisition times, and significant noise. Here, we present a Bayesian inference approach based on Gaussian process regression (GPR) to reconstruct high-quality spin echo signals from sparse and noisy data by exploiting correlations in reciprocal space. Benchmarks on synthetic datasets and validation with experimental NSE measurements of dendrimers show that GPR suppresses noise, interpolates missing intensity values, and accommodates irregular observations. The method improves accuracy, shortens acquisition times, and enables high-throughput and real-time studies. Beyond NSE, the framework is broadly applicable to other low signal-to-noise ratio scattering techniques, thereby extending the scope of neutron spectroscopy.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2014

Identifying, studying and making good use of macromolecular crystals

As technology advances, the crystal volume that can be used to collect useful X-ray diffraction data decreases. The technologies available to detect and study growing crystals beyond the optical resolution limit and methods to successfully place the crystal into the X-ray beam are discussed. Structural biology has contributed tremendous knowledge to the understanding of life on the molecular scale. The Protein Data Bank, a depository of this structural knowledge, currently contains over 100 000 protein structures, with the majority stemming from X-ray crystallography. As the name might suggest, crystallography requires crystals. As detectors become more sensitive and X-ray sources more intense, the notion of a crystal is gradually changing from one large enough to embellish expensive jewellery to objects that have external dimensions of the order of the wavelength of visible light. Identifying these crystals is a prerequisite to their study. This paper discusses developments in identifying these crystals during crystallization screening and distinguishing them from other potential outcomes. The practical aspects of ensuring that once a crystal is identified it can then be positioned in the X-ray beam for data collection are also addressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗