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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The time-resolved atomic, molecular and optical science instrument at the Linac Coherent Light Source

The newly constructed time-resolved atomic, molecular and optical science instrument (TMO) is configured to take full advantage of both linear accelerators at SLAC National Accelerator Laboratory, the copper accelerator operating at a repetition rate of 120 Hz providing high per-pulse energy as well as the superconducting accelerator operating at a repetition rate of about 1 MHz providing high average intensity. Both accelerators power a soft X-ray free-electron laser with the new variable-gap undulator section. With this flexible light source, TMO supports many experimental techniques not previously available at LCLS and will have two X-ray beam focus spots in line. Thereby, TMO supports atomic, molecular and optical, strong-field and nonlinear science and will also host a designated new dynamic reaction microscope with a sub-micrometer X-ray focus spot. The flexible instrument design is optimized for studying ultrafast electronic and molecular phenomena and can take full advantage of the sub-femtosecond soft X-ray pulse generation program.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Science of the Van Allen Probes Science Operations Centers

The Van Allen Probes mission operations materialized through a distributed model in which operational responsibility was divided between the Mission Operations Center (MOC) and separate instrument specific SOCs. The sole MOC handled all aspects of telemetering and receiving tasks as well as certain scientifically relevant ancillary tasks. Each instrument science team developed individual instrument specific SOCs proficient in unique capabilities in support of science data acquisition, data processing, instrument performance, and tools for the instrument team scientists. In parallel activities, project scientists took on the task of providing a significant modeling tool base usable by the instrument science teams and the larger scientific community. With a mission as complex as Van Allen Probes, scientific inquiry occurred due to constant and significant collaboration between the SOCs and in concert with the project science team. Planned cross-instrument coordinated observations resulted in critical discoveries during the seven-year mission. Instrument cross-calibration activities elucidated a more seamless set of data products. Specific topics include post-launch changes and enhancements to the SOCs, discussion of coordination activities between the SOCs, SOC specific analysis software, modeling software provided by the Van Allen Probes project, and a section on lessons learned. One of the most significant lessons learned was the importance of the original decision to implement individual team SOCs providing timely and well-documented instrument data for the NASA Van Allen Probes Mission scientists and the larger magnetospheric and radiation belt scientific community.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Design and performance of a magnetic bottle electron spectrometer for high-energy photoelectron spectroscopy

We describe the design and performance of a magnetic bottle electron spectrometer (MBES) for high-energy electron spectroscopy. Our design features a 2 m long electron drift tube and electrostatic retardation lens, achieving sub-electronvolt (eV) electron kinetic energy resolution for high energy (several hundred eV) electrons with a close to 4π collection solid angle. A segmented anode electron detector enables the simultaneous collection of photoelectron spectra in high resolution and high collection efficiency modes. This versatile instrument is installed at the time-resolved molecular and optical sciences instrument at the Linac Coherent Light Source x-ray free-electron laser (XFEL). In this paper, we demonstrate its high resolution, collection efficiency, and spatial selectivity in measurements where it is coupled to an XFEL source. These combined characteristics are designed to enable high-resolution time-resolved measurements using x-ray photoelectron, absorption, and Auger–Meitner spectroscopy. We also describe the pervasive artifact in MBES time-of-flight spectra that arises from a periodic modulation in electron collection efficiency and present a robust analysis procedure for its removal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Cyber Framework for Steering and Measurements Collection Over Instrument-Computing Ecosystems

We propose a framework to develop cyber solutions to support the remote steering of science instruments and measurements collection over instrument-computing ecosystems. It is based on provisioning separate data and control connections at the network level, and developing software modules consisting of Python wrappers for instrument commands and Pyro server-client codes that make them available across the ecosystem network. We demonstrate automated measurement transfers and remote steering operations in a microscopy use case for materials research over an ecosystem of Nion microscopes and computing platforms connected over site networks. The proposed framework is currently under further refinement and being adopted to science workflows with automated remote experiments steering for autonomous chemistry laboratories and smart energy grid simulations.

Al Najjar, Anees↗
DOE OSTI2023

TRACER Carbonaceous Aerosols Thrust – University of California, Davis Field Campaign Report

The broader U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s TRacking Aerosol Convection interactions ExpeRiment (TRACER) campaign aims to increase our understanding of convective cloud life cycles and aerosol-convection interactions. Our TRACER Carbonaceous Aerosols Thrust-University of California, Davis (TRACER-CAT-UCDavis) study complemented these broader aims by characterizing and quantifying the optical properties and composition of carbonaceous aerosols during part of the TRACER intensive sampling period (July 1- July 31, 2022) at the first ARM Mobile Facility (AMF1) main site (M1) in La Porte, Texas. Our measurements complemented the suite of instrumentation already provided by the AMF1, expanding the capabilities through deployment of unique, state-of-the-science instrumentation. The instrumentation included: (i) two cavity-attenuated phase shift spectroscopy single-scatter albedo (CAPS-SSA) instruments operating at 530 nm and 630 nm, and that were modified to characterize particle light absorption, extinction, and scattering at elevated humidities; (ii) the UC Davis dual-wavelength cavity ringdown-photoacoustic spectrometer (CRD-PAS), which characterizes dry particle extinction and absorption at 405 nm and 532 nm; (iii) a soot particle aerosol mass spectrometer (SP-AMS) that operated in “laser only” mode that characterized the size-dependent compositions of black carbon (BC)-containing particles; (v) a thermal denuder, to remove coatings on particles; and (vi) a scanning electrical mobility sizer (SEMS), to characterize particle mobility diameters from 10-1300 nm. Our measurements occurred alongside complementary observations made by Los Alamos National Laboratory (LANL) during the TRACER-CAT-LANL study, including a humidified CAPS-SSA instrument operating at 450 nm. Our primary scientific interest is in understanding the relationship between particle composition and light absorption, with a particular focus on the influence of water uptake. While it is known that coatings on BC can enhance absorption, the extent to which this occurs in the atmosphere and the specific role that water plays as a coating remain unclear. The TRACER-CAT-UCDavis measurements were made with near-complete coverage for the CRD-PAS, SP-AMS, and SEMS throughout the intensive period. The UC Davis humidified CAPS-SSA instruments had significant challenges with operation owing to the demanding conditions (large temperature fluctuations, high humidity), exacerbated by supply chain issues that delayed resolution of these challenges. However, the humidified CAPS-SSA instrument operated by LANL operated throughout the intensive period with near-complete coverage. The dry light extinction measurements from the CRD-PAS measurements and the LANL CAPS-SSA exhibited a good correlation, although the CAPS-SSA systematically measured greater extinction values than expected. While all instruments, with the exception of an aerodynamic particle sizer (APS), measured behind a common particulate matter (PM)2.5 μm cyclone, the greater extinction measured by the LANL CAPS-SSA compared to the CRD-PAS may have resulted from different losses of larger particles in the sampling lines from the cyclone to the instruments; the tubing length was shorter from the cyclone to the LANL CAPS-SSA, consistent with this idea. A summary of the TRACER-CAT-UCDavis measurements, along with some of the TRACER-CAT-LANL measurements, are shown in the figure below. Notably, there were periods when the contributions of presumed dust were substantial and even dominated the observed light extinction and absorption. Also, there was a clear shift in the behavior of submicron particles from before July 16, 2022 to after, with the prior period exhibiting regular episodes of new particle formation and the latter period exhibiting rapid variations in the concentrations of small particles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Virtual Infrastructure Twins: Software Testing Platforms for Computing-Instrument Ecosystems

Science ecosystems are being built by federating computing systems and instruments located at geographically distributed sites over wide-area networks. These computing-instrument ecosystems are expected to support complex workflows that incorporate remote, automated AI-driven science experiments. Their realization, however, requires various designs to be explored and software components to be developed, in order to support the orchestration of distributed computations and experiments. It is often too expensive, infeasible, or disruptive for the entire ecosystem to be available during the typically long software development and testing periods. We propose a Virtual Infrastructure Twin (VIT) of the ecosystem that emulates its network and computing components, and incorporates its instrument software simulators. It provides a software environment nearly identical to the ecosystem to support early development and testing, and design space exploration. We present a brief overview of previous digital infrastructure twins that culminated in the VIT concept, including (i) the virtual science network environment for developing software-defined networking solutions, and (ii) the virtual federated science instrument environment for testing the federation software stack and remote instrument control software. We briefly describe VITs for Nion microscope steering and access to GPU systems.

Rao, Nageswara↗
DOE OSTI2023

Virtual Infrastructure Twins: Software Testing Platforms for Computing-Instrument Ecosystems

Science ecosystems are being built by federating computing systems and instruments located at geographically distributed sites over wide-area networks. These computing-instrument ecosystems are expected to support complex workflows that incorporate remote, automated AI-driven science experiments. Their realization, however, requires various designs to be explored and software components to be developed, in order to support the orchestration of distributed computations and experiments. It is often too expensive, infeasible, or disruptive for the entire ecosystem to be available during the typically long software development and testing periods. We propose a Virtual Infrastructure Twin (VIT) of the ecosystem that emulates its network and computing components, and incorporates its instrument software simulators. It provides a software environment nearly identical to the ecosystem to support early development and testing, and design space exploration. We present a brief overview of previous digital infrastructure twins that culminated in the VIT concept, including (i) the virtual science network environment for developing software-defined networking solutions, and (ii) the virtual federated science instrument environment for testing the federation software stack and remote instrument control software. We briefly describe VITs for Nion microscope steering and access to GPU systems.

Rao, Nageswara↗
DOE OSTI2023

Electrochemical performance of ionic polymer metal composite under tensile loading

Abstract Cracks in polymer composites can lead to premature failure, which can be disastrous for polymer-based energy storage devices. Detecting these cracks is essential to guarantee the reliability and safety of such devices. However, detecting cracks in composite polymers such as ionic polymer metal composites (IPMCs) is a challenging task, which makes it difficult to ensure their performance and safety. The overall goal of this study is to investigate the effect of cracks or damage caused by tensile loading on the mechanical properties and electrochemical characteristics of IPMC based capacitors. During tensile testing, the deformation of the IPMC strips causes changes in the ion distribution and concentration in the polymer matrix, influencing the performance of the material. The measurements were conducted utilizing electrochemical impedance spectroscopy at a room temperature ( 21 ∘ C ) and frequency range of 10 KHz to 1 Hz. The method utilized in this study proved to be easy and quick with consistent results. The IPMC capacitor was found to increase its capacitance after major cracking in the Pt electrodes from high tensile mechanical loads. Furthermore, at lower frequency range (<100 Hz), the real ( ε ′ ) and imaginary ( ε ′ ′ ) part of permittivity increase with the addition of loads. This displays that the dielectric property of the material is affected due to the increasing of the loads. It is concluded that, at frequencies above 100 Hz, the permittivity is weakly load dependent.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Multimodal Instrument Concepts for Chemical Sciences at Second Target Station

The development of advanced chemical and energy systems is inherently complex, relying heavily on their unique pathways. Because no two catalysts or batteries follow exactly the same kinetic trajectories, conventional sequential measurements often obscure crucial relationships between structure and dynamics through statistical averaging. This report introduces two neutron scattering instrument concepts for the Second Target Station (STS) specifically designed to overcome this barrier: the Extended Q-range Diffractometer (EQD) and the Multimodal Chemical Spectrometer (MCS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

The Spectroscopic Stage-5 Experiment

The existence, properties, and dynamics of the dark sectors of our universe pose fundamental challenges to our current model of physics, and large-scale astronomical surveys may be our only hope to unravel these long-standing mysteries. In this white paper, we describe the science motivation, instrumentation, and survey plan for the next-generation spectroscopic observatory, the Stage-5 Spectroscopic Experiment (Spec-S5). Spec-S5 is a new all-sky spectroscopic instrument optimized to efficiently carry out cosmological surveys of unprecedented scale and precision. The baseline plan for Spec-S5 involves upgrading two existing 4-m telescopes to new 6-m wide-field facilities, each with a highly multiplexed spectroscopic instrument capable of simultaneously measuring the spectra of 13,000 astronomical targets. Spec-S5, which builds and improves on the hardware used for previous cosmology experiments, represents a cost-effective and rapid approach to realizing a more than 10$\times$ gain in spectroscopic capability compared to the current state-of-the-art represented by the Dark Energy Spectroscopic Instrument project (DESI). Spec-S5 will provide a critical scientific capability in the post-Rubin and post-DESI era for advancing cosmology, fundamental physics, and astrophysics in the 2030s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Using Numba for GPU acceleration of Neutron Beamline Digital Twins

Digital twins of neutron instruments using Monte Carlo ray tracing have proven to be useful in neutron data analysis and verifying instrument and sample designs. However, these simulations can become quite complex and computationally demanding with tens of billions of neutrons. In this paper, we present a GPU accelerated version of MCViNE using Python and Numba to balance user extensibility with performance. Numba is an open-source just-in-time (JIT) compiler for Python using LLVM to generate efficient machine code for CPUs and GPUs with NVIDIA CUDA. The JIT nature of Numba allowed complex instrument kernels to be generated easily. Initial simulations have shown a speedup between 200-1000x over the original CPU implementation. The performance gain with Numba enables more sophisticated data analysis and impacts neutron scattering science and instrument design.

Kendrick, Coleman↗
DOE OSTI2023

nmrrr : A Reproducible Workflow for Binning and Visualizing NMR Spectra From Environmental Samples

Nuclear magnetic resonance (NMR) spectroscopy is a useful tool for detection and identification of molecular structural information, with increasing applications in environmental sciences. NMR instrument outputs are however heterogeneous and require extensive post-processing, creating barriers to their use and application by non-specialists. Here, we report on a new open-source R package, nmrrr, that processes and visualizes spectral data obtained from one-dimensional solution-state and solid-state NMR experiments; the package also performs relevant calculations commonly applied in natural organic matter communities, such as computing the relative abundance of various functional groups. We document the package's installation, dependencies, and functions; and provide a standard workflow for processing NMR data. This package is currently available on CRAN and GitHub, and community contributions are welcome.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Highly charged ion approach to measure nuclear charge radii of Fr, Ra, and Rn isotopes for precision measurements

Conventional electron scattering and muonic atom spectroscopy techniques are challenging to apply to heavy ions unless the element has at least one stable or extremely long-lived isotope. To overcome this limitation, a recently introduced method for determining nuclear charge radii relies on extreme-ultraviolet (EUV) spectroscopy of the D 1 line in highly charged Na-like ions. In this work, we present an experimental approach to measure the nuclear charge radii of isotopes of radioactive elements such as Fr, Ra, and Rn using this method at TRIUMF’s Ion Trap for Atomic and Nuclear Science (TITAN) instrument, located at the ISAC radioactive beam facility. We also explore the potential of using Na-like D 2 lines in the soft x-ray region for future measurements.

Electron beam ion trap↗