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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Equation-based object-oriented modeling and simulation of data center cooling systems

In this paper, we introduce a newly developed open source data center package in the Modelica Buildings library to support modeling and simulation of cooling and control systems of data centers. The data center package contains major thermal and control component models, such as Computer Room Air Handler, Computer Room Air Conditioner, models of different subsystem configurations such as chillers with differently configured waterside economizers, as well as templates for different systems. Two case studies based on this package are performed to investigate the performances of the cooling and electrical system under normal conditions and emergency situations such as a blackout: one is for a data center powered by conventional energy, and the other is for a data center powered by renewable energy. Simulation results show that the dynamic modeling and multi-domain simulation in the Modelica-based tool make it convenient for users to investigate both normal and emergent operations for conventional and renewable data centers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Molecular thermodynamic modeling of aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2- quinary system

As part of the effort to develop a comprehensive molecular thermodynamic model for high salinity produced water based on the electrolyte nonrandom two-liquid theory, this work presents the model results for the aqueous Na + -K + -Mg 2+ -Ca 2+ -SO 4 2- quinary system. With the binary interaction parameters fully parameterized for the water-electrolyte pairs and the electrolyte-electrolyte pairs, the model satisfactorily describes the thermodynamic properties for the aqueous quinary system and its binary, ternary, and quaternary subsystems for the temperature range 273.15–473.15 K and the salt concentrations up to saturation. The model results are compared with the salt solubility and thermodynamic data available for the subsystems with special attention to systems involving (Ca 2+ SO 4 2- ).

Chemistry↗
DOE OSTI2016

FPGA-based trigger system for the LUX dark matter experiment

LUX is a two-phase (liquid/gas) xenon time projection chamber designed to detect nuclear recoils resulting from interactions with dark matter particles. Signals from the detector are processed with an FPGA-based digital trigger system that analyzes the incoming data in real-time, with just a few microsecond latency. The system enables first pass selection of events of interest based on their pulse shape characteristics and 3D localization of the interactions. It has been shown to be >99% efficient in triggering on S2 signals induced by only few extracted liquid electrons. It is continuously and reliably operating since its full underground deployment in early 2013. This document is an overview of the systems capabilities, its inner workings, and its performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Effects of realgar on GSH synthesis in the mouse hippocampus: Involvement of system X{sub AG}{sup −}, system X{sub C}{sup −}, MRP-1 and Nrf2

Realgar is a type of mineral drug that contains arsenic and has neurotoxicity. Glutathione (GSH), which is the main antioxidant in the central nervous system, plays a key role in antioxidant defenses and the detoxification of arsenic. However, whether realgar interferes with the synthesis of GSH in the brain and the molecular mechanisms underlying its effects are largely unknown. Here, we used mouse models of exposure to realgar to show that realgar affects the synthesis of GSH in the hippocampus, leading to ultrastructural changes in hippocampal neurons and synapses and deficiencies in cognitive abilities, and that the mechanisms that cause this effect may be associated with alterations in the expression of system X{sub AG}{sup −}, system X{sub C}{sup −}, multidrug resistance-associated protein 1(MRP-1), nuclear factor E2-related factor 2 (Nrf2), γ-glutamylcysteine synthetase (γ-GCS), and the levels of glutamate (Glu) and cysteine (Cys) in the extracellular fluid. These findings provide a theoretical basis for preventing the drug-induced chronic arsenic poisoning in the nervous system that is triggered by realgar. - Highlights: • Realgar can induce neurotoxicity. • Realgar can modulate GSH levels in the hippocampus. • The mechanisms rely on expression changes of system X{sub AG}{sup −}, system X{sub C}{sup −}, MRP-1, Nrf2.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems

The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we present an efficient method for sampling and simulating the dynamics of the individual quantum systems that make up an ensemble and apply it to study the nonequilibrium dynamics of the ubiquitous spin-boson model. We generate an ensemble of single-system trajectories, and we analyze this trajectory ensemble using tools from classical statistical mechanics. Our results demonstrate that the dynamics of quantum coherence is highly heterogeneous at the single-system level due to variations in the initial bath configuration, which significantly affects the transient exchange of coherence between the system and its bath. Here, we observe that single systems tend to retain coherence over time scales longer than that of the ensemble. We also compute a novel thermodynamic entanglement entropy that quantifies a thermodynamic driving force favoring system–bath entanglement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Optimized CRISPR Interference System for Investigating Pseudomonas alloputida Genes Involved in Rhizosphere Microbiome Assembly

Pseudomonas alloputida KT2440 (formerly P. putida) has become both a well-known chassis organism for synthetic biology and a model organism for rhizosphere colonization. Here, we describe a CRISPR interference (CRISPRi) system in KT2440 for exploring microbe–microbe interactions in the rhizosphere and for use in industrial systems. Our CRISPRi system features three different promoter systems (XylS/P m , LacI/P lac , and AraC/P BAD ) and a dCas9 codon-optimized for Pseudomonads, all located on a mini-Tn7-based transposon that inserts into a neutral site in the genome. It also includes a suite of pSEVA-derived sgRNA expression vectors, where the expression is driven by synthetic promoters varying in strength. We compare the three promoter systems in terms of how well they can precisely modulate gene expression, and we discuss the impact of environmental factors, such as media choice, on the success of CRISPRi. We demonstrate that CRISPRi is functional in bacteria colonizing the rhizosphere, with repression of essential genes leading to a 10–100-fold reduction in P. alloputida cells per root. Finally, we show that CRISPRi can be used to modulate microbe–microbe interactions. When the gene pvdH is repressed and P. alloputida is unable to produce pyoverdine, it loses its ability to inhibit other microbes in vitro. Furthermore, our design is amendable for future CRISPRi-seq studies and in multispecies microbial communities, with the different promoter systems providing a means to control the level of gene expression in many different environments.

Bacteria↗
DOE OSTI2022

MultiSector Dynamics: Advancing the Science of Complex Adaptive Human-Earth Systems

The field of MultiSector Dynamics (MSD) explores the dynamics and co-evolutionary pathways of human and Earth systems with a focus on critical goods, services, and amenities delivered to people through interdependent sectors. This commentary lays out core definitions and concepts, identifies MSD science questions in the context of the current state of knowledge, and describes ongoing activities to expand capacities for open science, leverage revolutions in data and computing, and grow and diversify the MSD workforce. Central to our vision is the ambition of advancing the next generation of complex adaptive human-Earth systems science to better address interconnected risks, increase resilience, and improve sustainability. This will require convergent research and the integration of ideas and methods from multiple disciplines. Understanding the tradeoffs, synergies, and complexities that exist in coupled human-Earth systems is particularly important in the context of energy transitions and increased future shocks.

Reed, Patrick↗
DOE OSTI2024

Mesoscale Convective Systems Represented in High Resolution E3SMv2 and Impact of New Cloud and Convection Parameterizations

Mesoscale convective systems (MCSs) play an important role in modulating the global hydrological cycle, general circulation, and radiative energy budget. In this study, we evaluate MCS simulations in the second version of U.S. Department of Energy (DOE) Energy Exascale Earth System Model (E3SMv2). E3SMv2 atmosphere model (EAMv2) is run at the uniform 0.25? horizontal resolution. We track MCSs consistently in the model and observations using the PyFLEXTRKR algorithm, which defines MCS based on both cloud-top brightness temperature (Tb) and surface precipitation. Results from using Tb only to define MCS, commonly used in previous studies, are also discussed. Furthermore, sensitivity experiments are performed to examine the impact of new cloud and convection parameterizations developed for EAMv3 on simulated MCSs. Our results show that EAMv2 simulated MCS precipitation is largely underestimated in the tropics and contiguous United States. This is mainly attributed to the underestimated precipitation intensity in EAMv2. In contrast, the simulated MCS frequency becomes more comparable to observations if MCSs are defined only based on cloud-top Tb. The Tb-based MCS tracking method, however, includes many cloud systems with very weak precipitation which conflicts with the MCS definition. This result illustrates the importance of accounting for precipitation in evaluating simulated MCSs. We also find that the new physics parameterizations help increase the relative contribution of convective precipitation to total precipitation in the tropics, but the simulated MCS properties are generally not improved. This suggests that simulating MCSs will remain a challenge for the next version of E3SM.

Zhang, Meng↗
DOE OSTI2020

Influence of soluble oligomeric aluminum on precipitation in the Al-KOH-H2O system

The role of oligomeric aluminate (Al(OH)4-) species in the precipitation of aluminum phases such as gibbsite (a-Al(OH)3) from aqueous hydroxide solutions remains unclear and difficult to probe directly, despite its importance to developing accurate predictions of Al solubility in highly alkaline systems. Precipitation in this system entails a transition from predominantly tetrahedrally coordinated Al species in solution to octahedrally coordinated Al in gibbsite. Here we report a quantitative study of dissolved Al in the Al-KOH-H2O system using a combination of molecular spectroscopies. We established a relationship between changes in 27Al NMR chemical shifts and the relative intensity of Raman vibrational bands, indicative of variations in the ensemble speciation of Al in solution, and the formation of unique contact ion pair interactions with the aluminate dimer, Al2O(OH)62 . A strong correlation between the extent of Al oligomerization and the amount of solvated Al was demonstrated by systematically varying the KOH:Al molar ratio. The concentration of dissolved oligomeric Al in solution also directly impacted the particle size and morphology of gibbsite; high concentrations of dimeric Al2O(OH)62-, yielded smaller and more numerous anhedral to subhedral gibbsite particles, while low concentrations yielded fewer and larger euhedral gibbsite platelets. The collective observations suggest a key role of the Al2O(OH)62- dimer in promoting gibbsite precipitation from solution, where the potassium ion-paired dimer possibly catalyzes a more rapid transformation of Al coordination from tetrahedral in solution to octahedral in gibbsite.

Dembowski, Mateusz↗
DOE OSTI2024

Integrating the PanDA Workload Management System with the Vera C. Rubin Observatory

The Vera C. Rubin Observatory will produce an unprecedented astronomical data set for studies of the deep and dynamic universe. Its Legacy Survey of Space and Time (LSST) will image the entire southern sky every three to four days and produce tens of petabytes of raw image data and associated calibration data over the course of the experiment’s run. More than 20 terabytes of data must be stored every night, and annual campaigns to reprocess the entire dataset since the beginning of the survey will be conducted over ten years. The Production and Distributed Analysis (PanDA) system was evaluated by the Rubin Observatory Data Management team and selected to serve the Observatory’s needs due to its demonstrated scalability and flexibility over the years, for its Directed Acyclic Graph (DAG) support, its support for multi-site processing, and its highly scalable complex workflows via the intelligent Data Delivery Service (iDDS). PanDA is also being evaluated for prompt processing where data must be processed within 60 seconds after image capture. This paper will briefly describe the Rubin Data Management system and its Data Facilities (DFs). Finally, it will describe in depth the work performed in order to integrate the PanDA system with the Rubin Observatory to be able to run the Rubin Science Pipelines using PanDA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

A test for a conjecture on the nature of attractors for smooth dynamical systems

Dynamics arising persistently in smooth dynamical systems ranges from regular dynamics (periodic, quasiperiodic) to strongly chaotic dynamics (Anosov, uniformly hyperbolic, nonuniformly hyperbolic modelled by Young towers). The latter include many classical examples such as Lorenz and Hénon-like attractors and enjoy strong statistical properties. It is natural to conjecture (or at least hope) that most dynamical systems fall into these two extreme situations. We describe a numerical test for such a conjecture/hope and apply this to the logistic map where the conjecture holds by a theorem of Lyubich, and to the 40-dimensional Lorenz-96 system where there is no rigorous theory. The numerical outcome is almost identical for both (except for the amount of data required) and provides evidence for the validity of the conjecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Galilei invariant technique for quantum system description

Problems with quantum systems models, violating Galilei invariance are examined. The method for arbitrary non-relativistic quantum system Galilei invariant wave function construction, applying a modified basis where center-of-mass excitations have been removed before Hamiltonian matrix diagonalization, is developed. For identical fermion system, the Galilei invariant wave function can be obtained while applying conventional antisymmetrization methods of wave functions, dependent on single particle spatial variables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Pulsed-coil magnet systems for applying uniform 10–30 T fields to centimeter-scale targets on Sandia's Z facility

Sandia has successfully integrated the capability to apply uniform, high magnetic fields (10–30 T) to high energy density experiments on the Z facility. This system uses an 8-mF, 15-kV capacitor bank to drive large-bore (5 cm diameter), high-inductance (1–3 mH) multi-turn, multi-layer electromagnets that slowly magnetize the conductive targets used on Z over several milliseconds (time to peak field of 2–7 ms). This system was commissioned in February 2013 and has been used successfully to magnetize more than 30 experiments up to 10 T that have produced exciting and surprising physics results. These experiments used split-magnet topologies to maintain diagnostic lines of sight to the target. We describe the design, integration, and operation of the pulsed coil system into the challenging and harsh environment of the Z Machine. We also describe our plans and designs for achieving fields up to 20 T with a reduced-gap split-magnet configuration, and up to 30 T with a solid magnet configuration in pursuit of the Magnetized Liner Inertial Fusion concept.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Threshold-based queuing system for performance analysis of cloud computing system with dynamic scaling

Cloud computing is promising technology to manage and improve utilization of computing center resources to deliver various computing and IT services. For the purpose of energy saving there is no need to unnecessarily operate many servers under light loads, and they are switched off. On the other hand, some servers should be switched on in heavy load cases to prevent very long delays. Thus, waiting times and system operating cost can be maintained on acceptable level by dynamically adding or removing servers. One more fact that should be taken into account is significant server setup costs and activation times. For better energy efficiency, cloud computing system should not react on instantaneous increase or instantaneous decrease of load. That is the main motivation for using queuing systems with hysteresis for cloud computing system modelling. In the paper, we provide a model of cloud computing system in terms of multiple server threshold-based infinite capacity queuing system with hysteresis and noninstantanuous server activation. For proposed model, we develop a method for computing steady-state probabilities that allow to estimate a number of performance measures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗