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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Empowering Scientific Discovery Through Computing at the Advanced Photon Source

This paper explores the challenges and solutions for managing and processing the vast amount of data generated by the Advanced Photon Source (APS), a synchrotron light source facility producing ultra-bright x-rays for diverse scientific domains. With 68 experimental beamlines covering materials research, biology, and more, the APS serves a wide user base across academia, government, and industry. The ongoing upgrade of the APS storage ring and installation of new instruments will amplify data generation and processing demands. This paper discusses the approach to address these demands through automated data processing using standardized workflows that produce faster scientific insights. The APS Data Management System coordinates various data related tasks to manage storage, data transfer, metadata cataloging, data processing, and interfaces with tools provided by Globus. Through integration with the Argonne Leadership Computing Facility (ALCF), APS users can efficiently access high-performance computing resources. Standardized workflows have led to reduced computational burdens on scientists and greater accessibility of high performance computing resources. We demonstrate how standardization and collaboration enable scientists to rapidly convert raw data into meaningful scientific results, establishing a streamlined path from data collection to analysis and ultimately to publication.

Parraga, Hannah↗

DOE OSTI2024

Predicting ptychography probe positions using single-shot phase retrieval neural network

Ptychography is a powerful imaging technique that is used in a variety of fields, including materials science, biology, and nanotechnology. However, the accuracy of the reconstructed ptychography image is highly dependent on the accuracy of the recorded probe positions which often contain errors. These errors are typically corrected jointly with phase retrieval through numerical optimization approaches. When the error accumulates along the scan path or when the error magnitude is large, these approaches may not converge with satisfactory result. We propose a fundamentally new approach for ptychography probe position prediction for data with large position errors, where a neural network is used to make single-shot phase retrieval on individual diffraction patterns, yielding the object image at each scan point. The pairwise offsets among these images are then found using a robust image registration method, and the results are combined to yield the complete scan path by constructing and solving a linear equation. We show that our method can achieve good position prediction accuracy for data with large and accumulating errors on the order of 10 2 pixels, a magnitude that often makes optimization-based algorithms fail to converge. For ptychography instruments without sophisticated position control equipment such as interferometers, our method is of significant practical potential.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Near-complete extraction of maximum stored energy from large-core fibers using coherent pulse stacking amplification of femtosecond pulses

High field science relies on ultrashort pulse lasers with multi-joule pulse energies for studying light–matter interactions under extreme conditions and for driving particle accelerators and secondary radiation sources of x rays, gamma rays, neutrons, positrons, muons, and protons. Next-generation laser drivers will require a 10 3 -10 4 times increase in pulse repetition rates, producing multi-joule energies at multi-kilowatt average powers to enable practical applications in nuclear engineering, advanced materials, medicine, biology, homeland security, and high-energy physics. Spatially coherently combined femtosecond fiber lasers are recognized as a pathway to these next-generation drivers, with significant practical advantages including high efficiency and the possibility of compact integration. However, chirped pulse amplification in fibers is capable of extracting only a small fraction (usually ~1%) of the maximum stored energy. Here we demonstrate near-complete maximum stored energy extraction with low accumulated nonlinearity from a large-core fiber amplifier using coherent pulse stacking amplification. We have amplified a 81-pulse stacking burst in a 85 µm core chirally coupled core Yb-doped fiber, extracting up to 9.5 mJ (~90% of stored energy) with < 4.5 radians of accumulated nonlinear phase, temporally combined this burst into a single pulse, and achieved 4.2 mJ pulses of 313 fs bandwidth-limited duration after compression. This represents, to our knowledge, the highest energy extracted and compressed into a femtosecond pulse from a single fiber amplifier, enabling approximately two orders of magnitude size reduction of future high-energy coherently spatially combined fiber laser arrays.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Gender in Mineral Names

Minerals are the fundamental constituents of Earth, and mineral names appear in scientific literature for disciplines including geology, chemistry, materials science, biology, and medicine, among others. Choosing a name is the full responsibility of the authors of new mineral proposals submitted to the International Mineralogical Association (IMA). Scientific nomenclature and its traditions have evolved over time and, consequently, mineral names track changes in the landscape of mineralogy with respect to language, technology, and culture. To evaluate these changes, the namesake information for all 5896 minerals approved by the IMA or ‘grandfathered’ into use as of December 2022 was recorded and categorized within a workable database. The compiled information yields diverse insights into the intersection of science and culture and could also be used to project future trends. In this study, we used the name database to investigate gender diversity among mineral eponyms. More than half (c. 54%) of all mineral species are named after people, the identities of whom are largely a reflection of the people that have historically been involved, in one way or another, in the geosciences and in the mining industry. Of the 2738 people with minerals named for them, approximately 6.1% are (interpreted to be) women. Nearly all minerals named for women were named during the last sixty years, although the rate of growth in the year-on-year percentage of women among new mineral namesakes has slowed since about 1985. If current and historical trends hold, our model predicts that women will not comprise more than about 10.35% of newly established mineral namesakes in future years. The representation of women among mineral namesakes also differs starkly among countries. For example, Russians comprise 43.11% of women with minerals named for them, but account for only 15.12% of all eponyms. However, there are additional disparities beyond the proportions of namesakes. For scientists who were alive when a mineral was named for them, women were an average of 3.74 years older than men when evaluated over the same timespan (1954–2022). These results demonstrate that gender-based disparities are imprinted into current mineral nomenclature and indicate that gender parity among new mineral namesakes is impossible without unprecedented changes in the upstream demographics that are most likely to affect naming trends.

58 GEOSCIENCES↗

DOE OSTI2021

Direct Air Capture of CO2 (DAC) [Tech Snapshot]

Researchers at Los Alamos have extensive capabilities in design, testing and optimization of: (1) new capture materials based on membrane separation, amine and other solvent and sorbent separation, and porous materials; (2) biological capture methods, particularly algae and plants; (3) full-scale systems using science-based virtual learning; and (4) system performance under specific meteorological conditions, impacts of CO2 capture via atmospheric data and simulations, and availability of energy and storage capacity. The goal for Los Alamos is advancing our physical technologies and engineered systems approaches from the development phase to a minimal viable product in the energy sector for commercial purposes. Los Alamos is seeking strategic commercialization partners to work with us in advancing these capabilities and technologies for commercial viability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Open Reproducible Electron Microscopy Data Analysis

Electron microscopy (EM) is a cornerstone technique in the materials and biological sciences capable of imaging structures at nano- to atomic-scale resolution. Advances in technologies mean that one acquires datasets at increasing data rates and sizes. These advancements present enormous opportunities for researchers to understand complex systems. However, processing the resulting large-scale, complex data in a reproducible and shareable way is a real challenge for researchers. The building, managing, and maintaining complex workflows in a reproducible manner requires extensive knowledge in several areas outside the researchers’ core skill sets, such as software engineering, data science, and high-performance computing (HPC). Our work demonstrates an innovative approach to solving these problems, enabling reproducible EM data analysis through container encapsulated pipelines. Using modern container technologies, we encapsulate processing elements and connect them using shared memory. We expose user-friendly, advanced algorithms and tools to allow end users to utilize without expert programming skills. The platform enables reproducible, scalable, shareable pipelines for the analysis and visualization of EM data. Focusing on interoperability, we leverage the DOE and other agencies’ existing investments to provide a powerful software platform for EM data analysis.

Harris, Christopher↗

DOE OSTI2022

Sequential optical response suppression for chemical mixture characterization

The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

VeryFastCCD: a high frame rate soft X-ray detector

Direct X-ray detection in silicon has been transformative for scattering experiments in biology and materials science. While bump-bonded hybrid pixels have been attractive for hard X-ray detection, the challenge for single photon soft X-ray detection is sufficiently low noise. CCD structures on thick, high-resistivity silicon have been successfully used as sensors over the range of soft to hard X-rays at storage rings and FELs. The VeryFastCCD is a high frame rate, column-parallel CCD sensor with 48 μm pixels. Combined with 256-channel custom readout ASICs, frame rates of 5–10 kHz have been achieved with readout noise as low as 20 e and full-well capacity >4 × 10 5 e/pixel. Thin (10 nm and 100 nm) entrance window contact processes have also been developed which provide >85% quantum efficiency for 285 eV X-rays. Systems are currently being developed for several beamlines at the upgraded Advanced Light Source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1969

Space Materials Handbook, 3rd ed.

This edition is the result of an extensive revision and reworking of the second edition of the Space Materials Handbook along with the incorporation of entirely new subject matter coverage and new materials data. All of the most significant material, phenomena, properties, and principles covered in the original Handbook are presented and expanded in this revised and updated version. However, treatment of theoretical aspects has been condensed in order that more emphasis could be placed on the extensive new materials knowledge and data obtained from the design and successful launching of a wide variety of space systems. The handbook is organized into four parts, namely: space environment, effect of space environment on materials, materials in space, and biological interaction with spacecraft materials. Information on mechanical, physical, and chemical properties and characteristics is given for a wide variety of metallic and nonmetallic materials. The effects of natural and induced environments on materials are appraised. Materials categories include coverage of thermal control materials, optical materials, adhesives, organic structural materials, inorganic structural materials, electronic components and materials, materials for sealing applications, and lubrication materials. In addition, a comprehensive multiple citation index is incorporated which gives ready access to information on specific subject areas with regard to their locations within the Handbook.

John B Rittenhouse↗

NASA NTRS1977

Variation in stable carbon isotopes in organic matter from the Gunflint Iron Formation

Results are presented for an isotopic analysis of the kerogen separated from 15 samples of the Gunflint Iron Formation, Ontario, and the conformably overlying Rove Formation. Reasons for which the Gunflint Iron Formation is suitable for such a study of a single Precambrian formation are identified. The general geology of the formation is outlined along with sample selection, description, and preparation. Major conclusions are that the basal Gunflint algal chert and shale facies are depleted in C-13 relative to the chert-carbonate and taconite facies, that differences in the delta C-13 values between Gunflint facies correlate with marked differences in their biological source materials as evidenced by their respective microbiotas, that the anthraxolites are anomalously depleted in C-13 relative to the kerogen of their encompassing cherts and shales, and that the effects of igneous intrusion and concomitant thermal alteration are shown by a marked loss of C-12 at the contact. The demonstration that not all kerogens are isotopically alike stresses the importance of facies data to the interpretation of C-13/C-12 ratios of ancient organic matter.

Barghoorn, E. S.↗

NASA NTRS1977

Apollo-Soyuz pamphlet no. 9: General science

The objectives and planning activities for the Apollo-Soyuz mission are summarized. Aspects of the space flight considered include the docking module and launch configurations, spacecraft orbits, and weightlessness. The 28 NASA experiments conducted onboard the spacecraft are summarized. The contributions of the mission to the fields of astronomy, geoscience, biology, and materials sciences resulting from the experiments are explored.

Page, L. W.↗

NASA NTRS1985

Electrophoresis technology

A new high resolution apparatus designed for space was built as a laboratory prototype. Using a moving wall with a low zeta potential coating, the major sources of flow distortion for an electrophoretic sample stream are removed. Highly resolved fractions, however, will only be produced in space because of the sensitivity of this chamber to buoyancy-induced convection in the laboratory. The second and third flights of the McDonnell Douglas Astronautics Corporation continuous flow electrophoresis system carried samples developed at MSFC intended to evaluate the broad capabilities of free flow electrophoresis in a reduced gravity environment. Biological model materials, hemoglobin and polystyrene latex microspheres, were selected because of their past use as electrophoresis standards and as visible markers for fluid flow due to electroosmosis, spacecraft acceleration or other factors. The dependence of the separation resolution on the properties of the sample and its suspension solution was assessed.

Snyder, R. S.↗

NASA NTRS1990

An overview of the Spacelab program

A detailed review is presented of Spacelab experiments, equipment, methodologies, and aims emphasizing the 16 dedicated missions for Space Shuttle flights. Extensive illustrations of experimental set-ups and payload configurations are given showing the Space Shuttle payload bay. Among the experiments described are: (1) the Astro-1 UV and X-ray astronomy mission; (2) the Spacelab Life Science-1 mission for human activity in space; (3) the International Microgravity Laboratory-1 for materials and biological studies; (4) the Atmospheric Laboratory for Applications and Science to study solar effects on the earth; and (5) the Space Radar Laboratory for mapping the earth. Spacelab ground support is discussed and shown to be important for the planning, integration, and flight activities of the experiment programs.

Benson, Robert H.↗

NASA NTRS1994

Temperature prediction of space flight experiments by computer thermal analysis

Life sciences experiments are especially sensitive to temperature. A small temperature difference between otherwise identical samples can cause various differences in biological reaction rates. Knowledge of experimental temperatures and temperature histories help to distinguish the effects of microgravity and temperature on spaceflight experiments compared to ground based studies, and allow appropriate controls and sensitivity tests. Up to the present time, the Orbiter (Space Shuttle) has not generally provided temperature measurement instrumentation inside ambient lockers located in the Mid-deck of the Orbiter, or inside similar facilities such as Spacehab and Spacelab, but many pieces of hardware do have temperature recording capability. Most of these temperatures, however, have only been roughly measured or estimated. Such reported experimental temperatures, while accurate within a range of several degrees Celsius, are of limited utility to biological researchers. The temperature controlled lockers used in spaceflight, such as Commerical-Refrigeration Incubation Modules (C-R/IMs), severely reduce the mass and volume available for test samples and do not necessarily provide uniform thermal environments. While these test carriers avoid some of the experimental temperature variations of the ambient lockers, the number of samples which can be accommodated in these temperature controlled units is limited. In the present work, improved models of thermal prediction and control were sought. Temperatures are predicted by thermal analysis software using empirical temperatures recorded during STS-57. These temperatures are compared to data recorded throughout the mission using Ambient Temperature Recorders (ATRs) located within several payload lockers. Additional test cases are undertaken using controlled ground experiments to more precisely determine the reliability of the thermal model. The approach presented should increase the utility of various spaceflight carriers in the support of biological and material science research and ground control studies done in preparation for flight.

Birdsong, M. B.↗

NASA NTRS2001

Development of a Neutron Spectrometer to Assess Biological Radiation Damage Behind Spacecraft Materials

Astronauts who spend months and years traveling long distances in spacecraft and working on other planets will be subjected to high energy radiation of galactic and solar origin without the protection of the Earth's thick (one writer has called it buff) atmosphere and magnetic field. The lack of natural protection will allow high energy cosmic ray particles and solar protons to crash directly into relatively thin spacecraft walls and planetary atmospheres producing energetic secondary particles in these collisions. A substantial fraction of these secondaries will be neutrons that carry no electric charge and, consequently, are difficult to detect. At sea level on Earth the remaining neutrons are the result of many generations (approximately 10) of collisions, have very low energies (scientists call them thermal neutrons), and do not penetrate deeply into the human body. They do contribute to the natural background radiation seen by humans on Earth, but much of the dose is only at the surface or skin of the body. In the International Space Station or on the surface of Mars, the secondary neutrons will be the result of only one or two generations of interaction due to the thinner (about a factor of 20 compared to the Earth's atmosphere) walls or atmosphere, have considerably more energy and penetrate deeply into the human body. In addition, neutrons are substantially moderated by hydrogenous material such as water. A significant fraction of the water exists in the astronaut's body. Therefore, the neutron can not only penetrate more deeply into the body, but also be stopped there and deposit all or most of its radiation dose in organs such as the liver, spleen, kidney, etc. We hypothesize that the risk of serious cancers will be increased for the exposed humans. The portable, real time neutron spectrometer being developed by our team will monitor the environment inside spacecraft structures and on planetary surfaces. Activities supported by this grant will evaluate the neutron environment inside several candidate spacecraft materials at accelerator facilities. These experiments will enable engineers to choose the structure materials that minimize the production of secondary neutrons. With the information that the neutron energy spectrometer produces, scientists and doctors will be able to assess the increased risk of cancer and develop countermeasures. The instrument itself will include an alarm system to warn astronauts when high radiation fluxes are occurring so that they can seek shelter immediately.

Maurer, R. H.↗

NASA NTRS2001

Facility Concepts for Mars Returned Sample Handling

Samples returned from Mars must be held in quarantine until their biological safety has been determined. A significant challenge, unique to NASA's needs, is how to contain the samples (to protect the blaspheme) while simultaneously protecting their pristine nature. This paper presents a comparative analysis of several quarantine facility concepts for handling and analyzing these samples. The considerations in this design analysis include: modes of manipulation; capability for destructive as well as non-destructive testing; avoidance of cross-contamination; linear versus recursive processing; and sample storage and retrieval within a closed system. The ability to rigorously contain biologically hazardous materials has been amply demonstrated by facilities that meet the specifications of the Center for Disease Control Biosafety Level 4. The newly defined Planetary Protection Level Alpha must provide comparable containment while assuring that the samples remain pristine; the latter requirement is based on the need to avoid compromising science analyses by instrumentation of the highest possible sensitivity (among other things this will assure that there is no false positive detection of organisms or organic molecules - a situation that would delay or prevent the release of the samples from quarantine). Protection of the samples against contamination by terrestrial organisms and organic molecules makes a considerable impact upon the sample handling facility. The use of glove boxes appears to be impractical because of their tendency to leak and to surges. As a result, a returned sample quarantine facility must consider the use of automation and remote manipulation to carry out the various functions of sample handling and transfer within the system. The problem of maintaining sensitive and bulky instrumentation under the constraints of simultaneous sample containment and contamination protection also places demands on the architectural configuration of the facility that houses it.

Cohen, Marc M.↗

NASA NTRS1997

Super-Compact Laser

Microcosm, Inc. produced the portable Farfield-2 laser for field applications that require high power pulsed illumination. The compact design was conceived through research at Goddard Space Flight Center on laser instruments for space missions to carry out geoscience studies of Earth. An exclusive license to the key NASA patent for the compact laser design was assigned to Microcosm. The FarField-2 is ideal for field applications, has low power consumption, does not need water cooling or gas supplies, and produces nearly ideal beam quality. The properties of the laser also make it effective over long distances, which is one reason why NASA developed the technology for laser altimeters that can be toted aboard spacecraft. Applications for the FarField-2 include medicine, biology, and materials science and processing, as well as diamond marking, semiconductor line-cutting, chromosome surgery, and fluorescence microscopy.

Source record↗

NASA NTRS2003

Hydrocarbons in the Haughton Impact Structure, Devon Island, Nunavut, Canada

The occurrence of organic matter in terrestrial impact craters is important to astrobiology, as it may offer insight into possible relationships between impact events and the genesis, distribution and preservation of biologically relevant materials on planets. In particular, the processing and mobilization of preexisting organic material in planetary targets is of interest for studies of pathways to chemical complexity. Observations in old (Palaeozoic, Precambrian) craters indicate that organic carbon can survive large impacts. However, limited exposure and superimposed geological events can make the detailed history of organic matter in old craters difficult to decipher. We present here the first identification of hydrocarbons in the young (23 Ma, Miocene) Haughton impact structure.

Parnell, J.↗