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At least 1,297 records · Page 72

Multifacets of lossy compression for scientific data in the Joint-Laboratory of Extreme Scale Computing

The Joint Laboratory on Extreme-Scale Computing (JLESC) was initiated at the same time lossy compression for scientific data became an important topic for the scientific communities. The teams involved in the JLESC played and are still playing an important role in developing the research, techniques, methods, and technologies making lossy compression for scientific data a key tool for scientists and engineers. Here, in this paper, we present the evolution of lossy compression for scientific data from 2015, describing the situation before the JLESC started, the evolution of this discipline in the past 8 years (until 2023) through the prism of the JLESC collaborations on this topic and some of the remaining open research questions.

Compression for AI↗

Ultra-low-level measurements of airborne fission products from the Fukushima Daiichi reactor accident using high volume collection systems at Savannah River National Laboratory

For this study, ultra-low-level measurements of radionuclides in air have been conducted at the Savannah River National Laboratory (SRNL) to determine the atmospheric concentration of fission products released following the Fukushima Daiichi reactor accident on March 11, 2011. Air filter samples were acquired from two high-volume collection systems (a traditional filter-based system and an electrostatic precipitator-based system) to monitor airborne radionuclide concentrations in the period covering from 2 weeks to 3 years after the disaster. The world-wide spread of low-level concentrations of airborne fission products from the Fukushima event provided a unique opportunity to demonstrate SRNL's electrostatic particle collection technology and other improvements in environmental monitoring developed at the Savannah River Site (SRS). Detecting and analyzing the release allowed a comprehensive test of SRS systems for monitoring environmental radioactivity. Gamma-ray-emitting fission products ( 131,132 I, 134,136,137 Cs, and 129,132 Te) and cosmogenic isotopes ( 7 Be and 22 Na) in air were detected and quantified by high-resolution gamma-ray spectroscopy at concentrations as low as 0.07 μBq per standard cubic meter (SCM) (50 mBq total 137 Cs), while plutonium content was quantified by thermal ionization mass spectrometry (TIMS) at concentrations as low as 6.5 × 10 –21 g/SCM (3.0 fg 239+240 Pu). Isotope concentrations measured at SRNL from gamma-ray spectroscopy were compared to independent measurements from Chapel Hill, NC, located approximately 370 km (230 mi) NE of SRNL. Meteorological modeling was also used to predict radionuclide transport from the location of release to both measurement locations.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

A laboratory-scale process for producing dilithium beryllium tetrafluoride (FLiBe) with dissolved uranium tetrafluoride

Flibe Energy, Incorporated (FEI)'s conceptual Lithium Fluoride Thorium Reactor (LFTR) incorporates a chemical processing facility aimed at recovering uranium and other valuable volatile radionuclides while managing harmful radionuclides from the used fuel. The fuel utilized in this reactor is a combination of dilithium beryllium tetrafluoride (Li 2 BeF 4 or FLiBe) and uranium tetrafluoride (UF 4 ), (FLiBe/U). FEI's plan involves extracting the uranium and other valuable volatile fluoride-forming radionuclides using nitrogen trifluoride (NF 3 ). To facilitate laboratory-scale testing of uranium extraction using NF 3 and address the toxicity and physical hazards associated with beryllium and beryllium fluoride (BeF 2 ), we used a two-step process to prepare the simulated fuel salt. The first step entailed thermally decomposing ammonium beryllium tetrafluoride [(NH 4 ) 2 BeF 4 ] (ABeF) through a nominal 3-step process, combined with appropriate amounts of lithium fluoride (LiF) and UF 4 , resulting in the formation of beryllium fluoride (BeF 2 ). In the second step, the mixture was repeatedly melted and frozen at the melting point of FLiBe to prepare the eutectic FLiBe with dissolved UF 4 . Although the concept appears straightforward, the production of FLiBe/U involved various challenges. These challenges included transporting the gaseous decomposition products of ABeF, hydrogen fluoride (HF) and ammonia (NH 3 ), while preventing the formation of ammonium fluoride (NH 4 F). Additionally, it was necessary to control the reaction between the higher-than-anticipated water content in the commercial ABeF with NH 3 , HF, and the condensed NH 4 F, protect UF 4 from forming an unknown black compound, select suitable structural materials to mitigate fluoride corrosion, address the risks associated with beryllium toxicity through equipment design and operational protocols, and monitor process conditions. This article provides an account of the thermal decomposition chemistry observed in the commercial ABeF, describes the FLiBe/U production apparatus, describes the experiences and process refinements developed to prepare FLiBe/U, and presents our characterizations of prepared FLiBe/U.

Ammonium beryllium fluoride thermal decomposition↗

Damage detection in a laboratory-scale wellbore applying Time Reversal and Nonlinear Elastic Wave Spectroscopy (TR NEWS)

We report Time Reversal and Nonlinear Elastic Wave Spectroscopy (TR-NEWS) has been used to focus acoustic energy, and make measurements correlated with damage in a variety of industrial materials. Most studies using TR-NEWS have focused on relatively small objects and may have multiple acoustic sources. In Earth, within energy extraction and carbon sequestration settings, the structure and scale of wellbores makes acoustic focusing challenging, as has been demonstrated through numerical simulations. This paper explores the feasibility of applying TR NEWS for damage detection in wellbores by constructing a laboratory-scale wellbore, and using TR to focus and make dynamic linear and nonlinear elastic measurements on it. During successive cycles of localized mechanical damage induced in the sample, the hysteretic nonlinear elastic parameter α increased with progressive mechanical damage. In addition to these strain-dependent changes in α, the width and peak amplitude of the time reversal focused energy changed near the damage site.

58 GEOSCIENCES↗

An isotope harvesting beam blocker for the National Superconducting Cyclotron Laboratory

Harvesting isotopes from beam stops and other activated materials at accelerator facilities is a promising source of environmentally, scientifically and socially important radionuclides. At the Facility for Rare Isotope Beams (FRIB), a multitude of short- and long-lived radionuclides will be collected in a synergistic manner by dumping unused beams into a flowing-water beam stop. Ongoing exploratory research at the National Superconducting Cyclotron Laboratory (NSCL) with an analogous beam blocker aims towards obtaining the necessary radiochemical expertise for this endeavor. Herein we present a beam blocker and an isotope harvesting system which allows collection of a wide variety of aqueous and gaseous radionuclides. The water which flows through the beam blocker functions as an isotope production target and concurrently transports the newly formed radionuclides to collection sites. The system includes analytical instruments for online measurements of conductivity, dissolved oxygen, temperature, pressure and for detection of radiolytic products. To limit the levels of radiolytically produced hydrogen peroxide, a stainless-steel based degradation system was designed and implemented. Here, the suitability of the constructed system for the anticipated radionuclide harvesting project was demonstrated by offline tests and under irradiation with 140 MeV/u 48 Ca 20+ ions at the NSCL Coupled Cyclotron Facility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The GALILEO γ-ray array at the Legnaro National Laboratories

GALILEO, a new 4 pi high-resolution gamma-detection array, based on HPGe detectors, has been developed and installed at the Legnaro National Laboratories. The GALILEO array greatly benefits from a fully-digital readout chain, customized DAQ, and a variety of complementary detectors to improve the resolving power by the detection of particles, ions or high-energy gamma-ray transitions. In this paper, a full description of the array, including electronics and DAQ, is presented together with its complementary instrumentation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The fixed probe storage ring magnetometer for the Muon g-2 experiment at Fermi National Accelerator Laboratory

The goal of the FNAL E989 experiment is to measure the muon magnetic anomaly to unprecedented accuracy and precision at the Fermi National Accelerator Laboratory. To meet this goal, the time and space averaged magnetic environment in the muon storage volume must be known to better than 70 ppb. A new pulsed proton nuclear magnetic resonance (NMR) magnetometer was designed and built at the University of Washington, Seattle to track the temporal stability of the 1.45 T magnetic field in the muon storage ring at this precision. It consists of an array of 378 petroleum jelly based NMR probes that are embedded in the walls of muon storage ring vacuum chambers and custom electronics built with readily available modular radio frequency (RF) components. We give NMR probe construction details and describe the functions of the custom electronic subsystems. The excellent performance metrics of the magnetometer are discussed, where after 8 years of operation the median single shot resolution of the array of probes remains at 650 ppb.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

The ever-increasing demand for novel materials with superior properties inspires retrofitting traditional research paradigms in the era of artificial intelligence and automation. An autonomous experimental platform (AEP) has emerged as an exciting research frontier that achieves full autonomy via integrating data-driven algorithms such as machine learning (ML) with experimental automation in the material development loop from synthesis, characterization, and analysis, to decision making. In this review, we started with a primer to describe how to develop data-driven algorithms for solving material problems. Then, we systematically summarized recent progress on automated material synthesis, ML-enabled data analysis, and decision-making. Finally, we discussed the challenges and opportunities in an endeavor to develop the next-generation AEP for ultimately realizing an autonomous or self-driving laboratory. In conclusion, this review will provide insights for researchers aiming to learn the frontier of ML in materials science and deploy AEP in their labs for accelerating material development.

36 MATERIALS SCIENCE↗

Ensemble methods for quantification of potassium oxide in ChemCam Mars and laboratory spectra

In this paper we test new approaches for predicting the amount of element oxides in rock samples from the ChemCam instrument suite onboard the NASA Curiosity rover by focusing on K 2 O. Using the expanded dataset compiled by Gasda et al. (2021) with and without the Earth to Mars (E2M and NoE2M) transformation discussed in Clegg et al. (2017) we trained blended submodels using the “double blending” technique and compared these to ensemble methods (Random Forest, ExtraTrees, and Gradient Boosting Regression). We found that ensemble methods performed similar to blended submodels when looking at RMSE-P on the laboratory spectra and provided significant advantages when looking at spectra coming from Mars. For the full model, blended submodels achieved an RMSE-P of 0.62 and 0.60 (E2M and NoE2M respectively) while Gradient Boosting Regression resulted in a slightly improved RMSE-P of 0.59 and 0.60. More importantly, by employing a local RMSE-P estimation technique where model performance is evaluated based on nearby test samples we found that using ensemble methods can lower the quantification limit for K 2 O from the current value of ≈0.6 wt% to ≈0.08 wt% using Extra Trees and Random Forest. This would allow for a much larger range of K 2 O values to be quantified on Mars with greater certainty given that most targets seen on Mars tend to have <1 wt% K2O. Finally, we used both Mean Decrease in Impurity (MDI) and permutation importance techniques to investigate the wavelengths used by the ensemble methods and found that they correspond to known potassium emission lines. This suggests that ensemble methods can provide an easier to train and improved alternative to blended submodels for predicting potassium compositions from Laser Induced Breakdown Spectroscopy (LIBS) data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Adaptive laboratory evolution and metabolic engineering of Cupriavidus necator for improved catabolism of volatile fatty acids

Bioconversion of high-volume waste streams into value-added products will be an integral component of the growing bioeconomy. Volatile fatty acids (VFAs) (e.g., butyrate, valerate, and hexanoate) are an emerging and promising waste-derived feedstock for microbial carbon upcycling. Cupriavidus necator H16 is a favorable host for conversion of VFAs into various bioproducts due to its diverse carbon metabolism, ease of metabolic engineering, and use at industrial scales. Here, in this study, we report that a common strategy to improve product titers in C. necator, deletion of the polyhydroxybutyrate (PHB) biosynthetic operon, results in a significant growth defect on VFA substrates. Using adaptive laboratory evolution, we identify mutations to the regulator gene phaR, the two-component response regulator-histidine kinase pair encoded by H16_A1372/H16_A1373, and the tripartite transporter assembly encoded by H16_A2296-A2298 as causative for improved growth on VFA substrates. Deletion of phaR and H16_A1373 led to significantly reduced NADH abundance accompanied by large changes to expression of genes involved in carbon metabolism, balance of electron carriers, and oxidative stress tolerance that may be responsible for improved growth of these engineered strains. These results provide insight into the role of PHB biosynthesis in carbon and energy metabolism and highlight a key role for the regulator PhaR in global regulatory networks. By combining mutations, we generated platform strains with significant growth improvements on VFAs, which can enable improved conversion of waste-derived VFA substrates to target bioproducts.

09 BIOMASS FUELS↗

University of Washington Quaternary Isotope Laboratory Retrospective

We report the Quaternary Isotope Laboratory (QIL) at the University of Washington was launched in 1969 and directed by Minze Stuiver until his retirement in 1998. Here we review some of the scientific work undertaken in the QIL and the memories of some of Minze’s former students and colleagues.

54 ENVIRONMENTAL SCIENCES↗

Observation of subcritical shocks in a collisional laboratory plasma: scale dependence near the resistive length

We present a study of subcritical shocks in a highly collisional laboratory plasma with a dynamically significant magnetic field. Shocks were produced by placing cylindrical obstacles into the supermagnetosonic ( $M_{{\rm MS}} \sim 1.9$ ) outflow from an inverse wire array z-pinch at the MAGPIE pulsed power facility ( $n_{e} \sim 8.5 \times 10^{17}\,{\rm cm}^{-3}$ , $v \sim 45\,{\rm km}\,{\rm s}^{-1}$ ). We demonstrate the existence of subcritical shocks in this regime and find that secondary stagnation shocks form in the downstream which we infer from interferometry and optical Thomson scattering measurements are hydrodynamic in nature. The subcritical shock width is found to be approximately equal to the resistive diffusion length and we demonstrate the absence of a jump in hydrodynamic parameters. Temperature measurements by collective optical Thomson scattering showed little temperature change across the subcritical shock ( ${<}10\,\%$ of the ion kinetic energy) which is consistent with a balance between adiabatic and Ohmic heating and radiative cooling. We demonstrate the absence of subcritical shocks when the obstacle diameter is less than the resistive diffusion length due to decoupling of the magnetic field from the plasma. These findings are supported by magnetohydrodynamic simulations using the Gorgon and AstroBEAR codes and discrepancies between the simulations and experiment are discussed.

Physics↗

Structure and dynamics of magneto-inertial, differentially rotating laboratory plasmas

We present a detailed characterization of the structure and evolution of differentially rotating plasmas driven on the MAGPIE pulsed-power generator (1.4 MA peak current, 240 ns rise time). The experiments were designed to simulate physics relevant to accretion discs and jets on laboratory scales. A cylindrical aluminium wire array Z pinch enclosed by return posts with an overall azimuthal off-set angle was driven to produce ablation plasma flows that propagate inwards in a slightly off-radial trajectory, injecting mass, angular momentum and confining ram pressure to a rotating plasma column on the axis. However, the plasma is free to expand axially, forming a collimated, differentially rotating axial jet that propagates at ${\approx }100\,{\rm km}\,{\rm s}^{-1}$ . The density profile of the jet corresponds to a dense shell surrounding a low-density core, which is consistent with the centrifugal barrier effect being sustained along the jet's propagation. We show analytically that, as the rotating plasma accretes mass, conservation of mass and momentum implies plasma radial growth scaling as $r \propto t^{1/3}$ . As the characteristic moment of inertia increases, the rotation velocity is predicted to decrease and settle on a characteristic value ${\approx }20\,{\rm km}\,{\rm s}^{-1}$ . We find that both predictions are in agreement with Thomson scattering and optical self-emission imaging measurements.

Valenzuela-Villaseca, V. (ORCID:0000000167721441)↗

Modelling of the electron cyclotron emission burst from a laboratory tokamak plasma with loss-cone maser instability

The maser instability associated with the loss-cone distribution has been widely invoked to explain the radio bursts observed in the astrophysical plasma environment, such as aurora and corona. In the laboratory plasma of a tokamak, events reminiscent of these radio bursts have also been frequently observed as an electron cyclotron emission (ECE) burst in the microwave range (~2f ce near the last closed flux surface) during transient magnetohydrodynamic events. These bursts have a short duration of ~10 μs and display a radiation spectrum corresponding to a radiation temperature T e,rad of over 30 keV while the edge thermal electron temperature T e is only in the range of 1 keV. Suprathermal electrons can be generated through magnetic reconnection, and a loss-cone distribution can be generated through open stochastic field lines in the magnetic mirror of the near-edge region of a tokamak plasma. Radiation modelling shows that a sharp distribution gradient ∂f/∂v ⊥ > 0 at the loss-cone boundary can cause a negative absorption of ECE radiation through the maser instability. The negative absorption then amplifies the radiation so that the microwave intensity is significantly stronger than the thermal value. The significant T e,rad from the simulations suggests the potential role of the loss-cone maser instability in generating the ECE burst in a tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Risk Assessment in a Chemical Laboratory Following an Explosive Incident Involving a Novel Diazonium Compound: Retrospective Analysis and Lessons Learned

Diazonium compounds are synthetically useful in the production of dyes and textiles, however they are highly explosive under dry conditions. Explosion prevention becomes more difficult when new diazonium compounds are synthesized, because while some syntheses include a counterion to increase their stability, this is not always a reliable method to prevent an explosive incident. Due to the uncertainty surrounding the explosiveness of different diazonium compounds, it is important to understand how to safely clean up after an incident and how to determine when it is safe to return a laboratory to typical operational use, particularly when the incident involves a novel compound where a standard does not exist for instrument calibration. Here, an explosive event is discussed involving the synthesis of 4-bromo-benzenediazonium-2-carboxylate. Following the explosive incident and 3-step cleanup, which involved a precautionary neutralization step, samples were collected from the fume hood where the incident occurred. Because the incident involved an unstable, novel compound that is not commercially available and was deemed unsafe to resynthesize for instrument calibration, we assessed the risk of further explosion by analyzing for the stable decomposition products. Mass spectrometry analysis confirmed that the residue in the fume hood contained 5-bromosalicylic acid, a decomposition product of 4-bromo-benzenediazonium-2-carboxylate. Samples were taken from multiple points in the fume hood and analyzed to estimate the spatial distribution of the decomposition product. Based on this analysis, we inferred that the primary decomposition product was far more abundant than residual energetic, indicating the energetic had been consumed or neutralized to a trace quantity where the risk of further explosion was low. Furthermore, the steps presented here─specifically, initial neutralization and then analyzing the spatial distribution of expected decomposition products to assess risk when a novel explosive material is detonated in a confined space─were our approach to assess further risk following an explosion due to a novel diazonium compound without the need for any further handling or resynthesis of the energetic. Here, we present our approach and critically analyze these steps by discussing retrospective lessons learned and alternative analytical approaches.

Computer simulations↗

Comparative Study of Neutral and Cationic Sn 2 H 2 : Toward Laboratory Detection of the Cation

Group 14 M 2 H 2 isomers (M = Si, Ge, Sn, and Pb) have attracted interest due to their radically differing electronic structures from acetylene. To better understand the Sn–H interactions of the neutral and cationic Sn 2 H 2 structures, we present the most rigorous study of these systems to date. CCSD(T)/cc-pwCVTZ harmonic frequencies are presented as the first predictions for the neutral and cationic species to date. CCSDT(Q)/CBS relative energies are reported using the focal point approach, confirming the butterfly isomer as the global minimum on the potential energy surface for both the neutral and cationic species. In all, there exist 7 minima and 15 transition states. NBO analysis is also performed to elucidate the changes in bond order going from neutral to cation across all isomers of Sn 2 H 2 . Our results provide insights into the important Sn–H interaction and provide guidance for future work that may detect Sn 2 H$^{+}_{2}$ in the laboratory for the first time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Monitoring Redox Processes in Lithium-Ion Batteries by Laboratory-Scale Operando X-ray Emission Spectroscopy

Tracking changes in the chemical state of transition metals in alkali-ion batteries is crucial to understanding the redox chemistry during operation. X-ray absorption spectroscopy (XAS) is often used to follow the chemistry through observed changes in the chemical state and local atomic structure as a function of the state-of-charge (SoC) in batteries. In this study, we utilize an operando X-ray emission spectroscopy (XES) method to observe changes in the chemical state of active elements in batteries during operation. Operando XES and XAS were compared by using a laboratory-scale setup for four different battery systems: LiCoO 2 (LCO), Li[Ni 1/3 Co 1/3 Mn 1/3 ]O 2 (NMC111), Li[Ni 0.8 Co 0.1 Mn 0.1 ]O 2 (NMC811), and LiFePO 4 (LFP) under a constant current charging the battery in 10 h (C/10 charge rate). We show that XES, despite narrower chemical shifts in comparison to XAS, allows us to fingerprint the battery SOC in real time. We further demonstrate that XES can be used to track the change in net spin of the probed atoms by analyzing changes in the emission peak shape. As a test case, the connection between net spin and the local chemical and structural environment was investigated by using XES and XAS in the case of electrochemically delithiated LCO in the range of 2–10% lithium removal.

25 ENERGY STORAGE↗

Wildland Urban Interface (WUI) Emissions: Laboratory Measurement of Aerosol and Trace Gas from Combustion of Manufactured Building Materials

Wildfires are increasing in intensity and more often threatening the wildland urban interface (WUI) where buildings and homes coexist with the natural environment. WUI emissions have not been as well-studied as emissions from vegetation. Thus, there is a need to quantify the emissions of building materials used in home construction under flaming and smoldering conditions to study their impacts to human health, visibility, air quality, and climate. Here, in a controlled laboratory setting, we quantify emissions of aerosols and trace gases including formaldehyde, particulate matter, and black carbon. We focus on the combustion of traditional single-source wood-based construction fuels. Our results indicate that, similar to natural fuels, the aerosol optical properties were more related to combustion conditions than the fuel type. Overall, we observed significant variability in the gas and particle emissions. Consistent trends include high formaldehyde (HCHO) and carbon monoxide (CO) emissions for smoldering conditions and higher carbon dioxide (CO 2 ), nitrogen oxides (NO x ), and black carbon for flaming conditions. Finally, these observations highlight the need to better characterize emissions for materials in the built environment to assess large-scale climate and human health impacts of fires at the WUI.

54 ENVIRONMENTAL SCIENCES↗