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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Cosmology before noon with multiple galaxy populations

Near-future facilities observing the high-redshift universe (2 < z < 5) will have an opportunity to take advantage of "multi-tracer" cosmology by observing multiple tracers of the matter density field: Lyman alpha emitters (LAE), Lyman break galaxies (LBG), and CMB lensing κ. Here, in this work we use Fisher forecasts to investigate the effect of multi-tracers on next-generation facilities. In agreement with previous work, we show that multiple tracers improve constraints primarily from degeneracy breaking, instead of the traditional intuition of sample variance cancellation. Then, we forecast that for both BBN and CMB primary priors, the addition of lensing and LAEs onto a LBG-only sample will gain 25% or more in many parameters, with the largest gains being factor of ~ 10 improvement for f EDE . We include a preliminary approach towards modelling the impact of radiative transfer (RT) on forecasts involving LAEs by introducing a simplified model at linear theory level. Our results, albeit preliminary, show that while RT influences LAE-only forecasts strongly, its effect on composite multi-tracer forecasts is limited.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Design of the Multi-Ion Injector Linac for the JLAB EIC (JLEIC)

An Electron Ion Collider (EIC) is the highest priority for future U.S. accelerator-based nuclear physics facility following the completion of the Facility for Rare Isotope Beams (FRIB). Two laboratories are competing to host the future EIC: Brookhaven National Lab. (BNL) and Jefferson Lab. (JLab). The baseline design of JLab's Electron Ion Collider (JLEIC) ion complex comprises a pulsed superconducting (SC) linac injector capable of accelerating all ions from protons to lead, where proton and light ion beams can be polarized. After reviewing the design requirements for the injector linac, important design choices such as the room-temperature (RT) section design, the transition energy between the RT and SC sections and the stripping energy for heavy ions will be discussed. The design of the different linac sections will be presented as well as the results of end-to-end beam dynamics simulations for polarized deuterons and unpolarized lead ions.

Mustapha, B.↗
DOE OSTI2021

Simulating dust grain-radiation coupling on a moving mesh

ABSTRACT We present a model for the interaction between dust and radiation fields in the radiation hydrodynamic code arepo-rt, which solves the moment-based radiative transfer equations on an unstructured moving mesh. Dust is directly treated using live simulation particles, each of which represent a population of grains that are coupled to hydrodynamic motion through a drag force. We introduce methods to calculate radiation pressure on and photon absorption by dust grains. By including a direct treatment of dust, we are able to calculate dust opacities and update radiation fields self-consistently based on the local dust distribution. This hybrid scheme coupling dust particles to an unstructured mesh for radiation is validated using several test problems with known analytic solutions, including dust driven via spherically symmetric flux from a constant luminosity source and photon absorption from radiation incident on a thin layer of dust. Our methods are compatible with the multifrequency scheme in arepo-rt, which treats UV, optical photons as single scattered and IR photons as multi scattered. At IR wavelengths, we model heating of and thermal emission from dust. Dust and gas are not assumed to be in local thermodynamic equilibrium but transfer energy through collisional exchange. We estimate dust temperatures by balancing these dust-radiation and dust-gas energy exchange rates. This framework for coupling dust and radiation can be applied in future radiation hydrodynamic simulations of galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Base pairing, structural and functional insights into N 4 -methylcytidine (m 4 C) and N 4 ,N 4 -dimethylcytidine (m 4 2 C) modified RNA

The N 4 -methylation of cytidine (m 4 C and m 4 2 C) in RNA plays important roles in both bacterial and eukaryotic cells. In this work, we synthesized a series of m 4 C and m 4 2 C modified RNA oligonucleotides, conducted their base pairing and bioactivity studies, and solved three new crystal structures of the RNA duplexes containing these two modifications. Our thermostability and X-ray crystallography studies, together with the molecular dynamic simulation studies, demonstrated that m 4 C retains a regular C:G base pairing pattern in RNA duplex and has a relatively small effect on its base pairing stability and specificity. By contrast, the m 4 2 C modification disrupts the C:G pair and significantly decreases the duplex stability through a conformational shift of native Watson-Crick pair to a wobble-like pattern with the formation of two hydrogen bonds. This double-methylated m 4 2 C also results in the loss of base pairing discrimination between C:G and other mismatched pairs like C:A, C:T and C:C. The biochemical investigation of these two modified residues in the reverse transcription model shows that both mono- or di-methylated cytosine bases could specify the C:T pair and induce the G to T mutation using HIV-1 RT. In the presence of other reverse transcriptases with higher fidelity like AMV-RT, the methylation could either retain the normal nucleotide incorporation or completely inhibit the DNA synthesis. These results indicate the methylation at N 4 -position of cytidine is a molecular mechanism to fine tune base pairing specificity and affect the coding efficiency and fidelity during gene replication.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Electronic structure and lattice dynamics of 1⁢𝑇−VSe 2 : Origin of the three-dimensional charge density wave

To characterize in detail the charge density wave (CDW) transition of 1⁢𝑇−VSe 2 , its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and inelastic x-ray scattering, and state-of-the-art first-principles density functional theory calculations. Resonant elastic x-ray scattering does not show any resonant enhancement at either V or Se, indicating that the CDW peak at the 𝐾 edges describes a purely structural modulation of the electronic ordering. ARPES experiments identify (i) a pseudogap at 𝑇 > 𝑇⁢ CDW , which leads to a depletion of the density of states in the ML-M'L' plane at 𝑇 < 𝑇⁢ CDW , and (ii) anomalies in the electronic dispersion reflecting a sizable impact of phonons on it. A diffuse scattering precursor, characteristic of soft phonons, is observed at room temperature (RT) and leads to the full collapse of the low-energy phonon (𝜔 1 ) with propagation vector (0.25 0 −0.3) r.l.u. Here, we show that the frequency and linewidth of this mode are anisotropic in momentum space, reflecting the momentum dependence of the electron-phonon interaction (EPI), hence demonstrating that the origin of the CDW is, to a much larger extent, due to the momentum dependent EPI with a small contribution from nesting. The pressure dependence of the 𝜔 1 soft mode remains nearly constant up to 13 GPa at RT, with only a modest softening before the transition to the high-pressure monoclinic C2/m phase. The wide set of experimental data is well captured by our state-of-the art first-principles anharmonic calculations with the inclusion of van der Waals corrections in the exchange-correlation functional. The comprehensive description of the electronic and dynamical properties of VSe 2 reported here adds important pieces of information to the understanding of the electronic modulations in the family of transition-metal dichalcogenides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Local wave-number model for inhomogeneous two-fluid mixing

We analyze the local wave-number (LWN) model, a two-point spectral closure model for turbulence, as applied to the Rayleigh-Taylor (RT) instability, the flow induced by the relaxation of a statically-unstable density stratification. Model outcomes are validated against data from 3D simulations of the RT instability. In the first part of the study we consider the minimal model terms required to capture inhomogeneous mixing and show that this version, with suitable model coefficients, is sufficient to capture the evolution of important mean global quantities including mix-width, turbulent mass flux velocity, and Reynolds stress, if the start time is chosen such that the earliest transitions are avoided. However, this simple model does not permit the expected finite asymptote of the density-specific-volume covariance b. In the second part of the study, we investigate two forms for a source term for the evolution of the spectrum of density-specific-volume covariance for the LWN model. The first includes an empirically motivated calibration of the source to achieve the final asymptotic state of constant b. Here, the second form does not require calibration but, in conjunction with enhanced diffusion and drag captures the full evolution of all the dynamical quantities, namely, the mix-layer growth, turbulent mass-flux velocity, Reynolds stress, as well as the desired behavior of b.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nonlinear ablative Rayleigh-Taylor instability: Increased growth due to self-generated magnetic fields

The growth rate of the nonlinear ablative Rayleigh-Taylor (RT) instability is enhanced by magnetic fields self-generated by the Biermann battery mechanism; a scaling for this effect with perturbation height and wavelength is proposed and validated with extended-magnetohydrodynamic simulations. The magnetic flux generation rate around a single RT spike is found to scale with the spike height. The Hall parameter, which quantifies electron magnetization, is found to be strongly enhanced for short-wavelength spikes due to Nernst compression of the magnetic field at the spike tip. Furthermore, the impact of the magnetic field on spike growth is through both the suppressed thermal conduction into the unstable spike and the Righi-Leduc heat flow deflecting heat from the spike tip to the base. Righi-Leduc is found to be the dominant effect for small Hall parameters, while suppressed thermal conduction dominates for large Hall parameters. These results demonstrate the importance of considering magnetic fields in all perturbed inertial confinement fusion hot spots.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Reduced mixing in inertial confinement fusion with early-time interface acceleration

In inertial confinement fusion (ICF) implosions, the interface between the cryogenic DT fuel and the ablator is unstable to shock acceleration (the Richtmyer-Meshkov instability, RM) and constant acceleration (Rayleigh-Taylor instability, RT). Instability growth at this interface can reduce the final compression, limiting fusion burnup. If the constant acceleration is in the direction of the lighter material (negative Atwood number), the RT instability produces oscillatory motion that can stabilize against RM growth. Theory and simulations suggest this scenario occurred at early times in some ICF experiments on the National Ignition Facility, possibly explaining their favorable performance compared to one-dimensional simulations. In conclusion, this characteristic is being included in newer, lower adiabat designs, seeking to improve compression while minimizing ablator mixing into the fuel.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Real-time Simulation Model of a Vanadium Redox Flow Battery Energy Storage System with Power Electronics Integration

This paper presents a real-time (RT) model of a 20 kW multi-stack vanadium redox flow battery (VRFB) system including power electronics converters in a single real-time framework. Implemented on a Typhoon HIL 604 device, this model is designed to simulate the operation of the flow battery with system-level controls. To provide a realistic overview of a VRFB system, the model incorporates a closed-loop control system for managing the speeds of two centrifugal pumps and an electro-thermal model of the battery stacks, enabling realtime temperature estimation. Furthermore, a two-stage power electronics topology and associated control solution are presented, operating with distinct strategies for interfacing the battery model with the main grid and a local load. Results from simulations demonstrate that the VRFB model is well suited for RT environment, and system can manage power during both charging and discharging cycles, while a SCADA monitor is used to display critical variables for safe, efficient, and reliable operation of the VRFB systems.

Rezende Da Costa Reis Kimpara, Renata [ORNL] (ORCI↗
DOE OSTI2021

Networked HIL Simulation System for Modeling Large-scale Power Systems

This paper presents a networked hardware-in-the-loop (HIL) simulation system for modeling large-scale power systems. Researchers have developed many HIL test systems for power systems in recent years. Those test systems can model both microsecond-level dynamic responses of power electronic systems and millisecond-level transients of transmission and distribution grids. By integrating individual HIL test systems into a network of HIL test systems, we can create large-scale power grid digital twins with flexible structures at required modeling resolution that fits for a wide range of system operating conditions. This will not only significantly reduce the need for field tests when developing new technologies but also greatly shorten the model development cycle. In this paper, we present a networked OPAL-RT based HIL test system for developing transmission-distribution coordinative Volt-VAr regulation technologies as an example to illustrate system setups, communication requirements among different HIL simulation systems, and system connection mechanisms. Impacts of communication delays, information exchange cycles, and computing delays are illustrated. Simulation results show that the performance of a networked HIL test system is satisfactory.

Xie, Fuhong↗
DOE OSTI2021

Impact of Blockchain Delay on Grid-Tied Solar Inverter Performance

This paper investigates the impact of the delay resulting from a blockchain, a promising security measure, for a hierarchical control system of inverters connected to the grid. The blockchain communication network is designed at the secondary control layer for resilience against cyberattacks. To represent the latency in the communication channel, a model is developed based on the complexity of the blockchain framework. Taking this model into account, this work evaluates the plant’s performance subject to communication delays, introduced by the blockchain, among the hierarchical control agents. In addition, this article considers an optimal model-based control strategy that performs the system’s internal control loop. The work shows that the blockchain’s delay size influences the convergence of the power supplied by the inverter to the reference at the point of common coupling. In the results section, real-time simulations on OPAL-RT are performed to test the resilience of two parallel inverters with increasing blockchain complexity.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2020

In-situ Microscopy Characterization of Cu(In,Ga)Se2 Potential-Induced Degradation

We report on the role of sodium in potentialinduced degradation (PID) of Cu(In, Ga)Se 2 (CIGS) solar cells. In-situ microscopy characterizations on AFM platform were performed on two stressed CIGS device under room temperature (RT) and high temperature (HT) at 85 degrees C. During PID stressing we observed depletion region gets wider as Na migrates, p-n junction becomes leaky at RT for over a month; and similar junction evolution was observed for HT-stressed sample, eventually the junction collapsed after 18 hours. The diode behaviors were confirmed by dark I-V measurement. Time-of Flight secondary-ion mass spectrometry reveals that the Na accumulates on ZnO and CdS side, as well as the upper layer of CIGS layer. The results indicate that Na drifted by the voltage applied on the soda-lime glass, then diffuse through the whole device. And the sodium profiles have different points of evolution due to the temperature differences between the two stressed samples. The consistent results unambiguously show how Na from substrate glass causes PID in CIGS solar cells.

14 SOLAR ENERGY↗
DOE OSTI2021

A Parameterization of the Cloud Scattering Polarization Signal Derived From GPM Observations for Microwave Fast Radative Transfer Models

Microwave cloud polarized observations have shown the potential to improve precipitation retrievals since they are linked to the orientation and shape of ice habits. Stratiform clouds show larger brightness temperature (TB) polarization differences (PDs), defined as the vertically polarized TB (TBV) minus the horizontally polarized TB (TBH), with ~10 K PD values at 89 GHz due to the presence of horizontally aligned snowflakes, while convective regions show smaller PD signals, as graupel and/or hail in the updraft tend to become randomly oriented. The launch of the global precipitation measurement (GPM) microwave imager (GMI) has extended the availability of microwave polarized observations to higher frequencies (166 GHz) in the tropics and midlatitudes, previously only available up to 89 GHz. This study analyzes one year of GMI observations to explore further the previously reported stable relationship between the PD and the observed TBs at 89 and 166 GHz, respectively. The latitudinal and seasonal variability is analyzed to propose a cloud scattering polarization parameterization of the PD-TB relationship, capable of reconstructing the PD signal from simulated TBs. Given that operational radiative transfer (RT) models do not currently simulate the cloud polarized signals, this is an alternative and simple solution to exploit the large number of cloud polarized observations available. Finally, the atmospheric radiative transfer simulator (ARTS) is coupled with the weather research and forecasting (WRF) model, in order to apply the proposed parameterization to the RT simulated TBs and hence infer the corresponding PD values, which show to reproduce the observed GMI PDs well.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Secure and Adaptive Hierarchical Multi-Timescale Framework for Resilient Load Restoration Using a Community Microgrid

Distribution system integrated community microgrids (CMGs) can partake in restoring loads during extended duration outages. At such times, the CMGs are challenged with limited resource availability, absence of robust grid support, and heightened demand-supply uncertainty. Here, this paper proposes a secure and adaptive three-stage hierarchical multi-timescale framework for scheduling and real-time (RT) dispatch of CMGs with hybrid PV systems to address these challenges. The framework enables the CMG to dynamically expand its boundary to support the neighboring grid sections and is adaptive to the changing forecast error impacts. The first stage solves a stochastic extended duration scheduling (EDS) problem to obtain referral plans for optimal resource rationing. The intermediate near-real-time (NRT) scheduling stage updates the EDS schedule closer to the dispatch time using new obtained forecasts, followed by the RT dispatch stage. To make the decisions more secure and robust against forecast errors, a novel concept called delayed recourse is designed. The approach is evaluated via numerical simulations on a modified IEEE 123-bus system and validated using OpenDSS and hardware-in-loop simulations. The results show superior performance in maximizing load supply and continuous secure distribution network operation under different operating scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Use of carbonyldiimidazole as a derivatization agent for the detection of pinacolyl alcohol, a forensic marker for Soman, by EI-GC–MS and LC-HRMS in official OPCW proficiency test matrices

Pinacolyl alcohol (PA), a key forensic marker for the nerve agent Soman (GD), is a particularly difficult analyte to detect by various analytical methods. In this work, we have explored the reaction between PA and 1,1'-carbonyldiimidazole (CDI) to yield pinacolyl 1H-imidazole-1-carboxylate (PIC), a product that can be conveniently detected by gas chromatography–mass spectrometry (GC–MS) and liquid chromatography-high-resolution mass spectrometry (LC-HRMS). Regarding its GC–MS profile, this new carbamate derivative of PA possesses favorable chromatographic features such as a sharp peak and a longer retention time (RT = 16.62 min) relative to PA (broad peak and short retention time, RT = 4.1 min). Additionally, the derivative can also be detected by LC-HRMS, providing an avenue for the analysis of this chemical using this technique where PA is virtually undetectable unless present in large concentrations. From a forensic science standpoint, detection of this low molecular weight alcohol signals the past or latent presence of the nerve agent Soman (GD) in a given matrix (i.e., environmental or biological). The efficiency of the protocol was tested separately in the analysis and detection of PA by EI-GC–MS and LC-HRMS when present at a 10 μg/mL in a soil matrix featured in the 44th PT and in a glycerol-rich liquid matrix featured in the 48th Official Organization for the Prohibition of Chemical Weapons (OPCW) Proficiency Test when present at a 5 μg/mL concentration. In both scenarios, PA was successfully transformed into PIC, establishing the protocol as an additional tool for the analysis of this unnatural and unique nerve agent marker by GC–MS and LC-HRMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

EMOS (Energy Management Optimization System) [SWR-21-46]

EMOS software performs a real-time hierarchal optimal control for energy systems like multi-port electric vehicles charging site with distributed energy resources (DERs) and energy storage systems (ESSs). It gathers information in real-time from electric vehicles, power grid, and DERs, solves a multi-objective energy management optimization problem, and output setpoint for chargers, ESS converters, DERs converters, and grid converters. The software incorporates a novel integration of two control tasks: a) An Energy Management Optimization (EMO), which is the brain of EMOS controller that gathers information in real-time from EVs [e.g., battery size, state-of-charge (SOC), desired SOC, and charge acceptance curve], grid (e.g., electricity price, allowed feeder capacity, ramp rate limit, and reactive power), and DERs (e.g., prediction for solar generation for PV systems). It solves a control optimization problem in real-time to find optimal setpoint for ESSs power dispatch, EVs charging rate, and grid inverters. The objectives are to (1) minimize the charging cost considering grid energy, demand charges, and battery energy, (2) minimize charging time to meet fast charging criterion, (3) keep high energy level on ESSs at the end of an operating period, while satisfying constraints related to grid, EVs, and power converters. b) Real-Time Energy Management System (RT-EMS) is a rule-based algorithm that has faster response than EMO. It receives optimal setpoint from EMO and actual measurements from the system and modify the setpoint to compensate for any fast disturbance in the system, until a new optimum solution is received. Fast disturbances may include vehicle connect/disconnect, unpredicted variation in DERs profiles, variation in grid voltage, errors in PV generation prediction, and others. In addition, RT-EMS regulates voltage at point of common coupling (PCC) by managing reactive power of grid converters.

Mohamed, Ahmed↗
DOE OSTI2023

Structural analysis of platelet fragments and extracellular vesicles produced by apheresis platelets during storage

Platelets (PLTs) for transfusion can be stored for up to 7 days at room temperature (RT). The quality of apheresis PLTs decreases over storage time, which affects PLT hemostatic functions. Here, we characterized the membranous particles produced by PLT storage lesion (PSLPs), including degranulated PLTs, PLT ghosts, membrane fragments, and extracellular membrane vesicles (PEVs). The PSLPs generated in apheresis platelet units were analyzed on days 1, 3, 5, and 7 of RT storage. A differential centrifugation and a sucrose density gradient were used to separate PSLP populations. PSLPs were characterized using scanning and transmission electron microscopy (EM), flow cytometry (FC), and nanoparticle tracking analysis (NTA). PSLPs have different morphologies and a broad size distribution; FC and NTA showed that the concentration of small and large PSLPs increases with storage time. The density gradient separated 3 PSLP populations: (1) degranulated PLTs, PLT ghosts, and large PLT fragments; (2) PEVs originated from PLT activation and organelles released by necrotic PLTs; and (3) PEV ghosts. Most PSLPs expressed phosphatidyl serine and induced thrombin generation in the plasma. PSLPs contained extracellular mitochondria and some had the autophagosome marker LC3. PSLPs encompass degranulated PLTs, PLT ghosts, large PLT fragments, large and dense PEVs, and low-density PEV ghosts. The activation-related PSLPs are released, particularly during early stage of storage (days 1-3), and the release of apoptosis- and necrosis-related PSLPs prevails after that. No elevation of LC3- and TOM20-positive PSLPs indicates that the increase of extracellular mitochondria during later-stage storage is not associated with PLT mitophagy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

The Mechanical Response of High Burnup 17x17 PWR Fuel Rods Under Bending

As a part of the US Department of Energy Office of Nuclear Energy High Burnup Spent Fuel Data Project, Oak Ridge National Laboratory has performed 4pt-bend tests on a series of 17x17 PWR fuel rods that were discharged with rod average burnups between 50 and 60 GWd/MTU. The rods include four different kinds of fuel cladding: standard Zircaloy-4 (Zirc-4), low-tin (LT) Zirc-4, ZIRLO, and M5. Six rods of each type (combining Zirc-4 and LT Zirc-4 as one type) were tested to failure at room temperature and 200 oC. Three of each type experienced a full-length heat treatment cycle from RT to 400 oC to RT with an 8 hr soak at 400 oC to simulate the expected limiting vacuum drying condition, which potentially induces hydride reorientation and causes some annealing of irradiation damage in the cladding. Overall, the fuel rods show significant capacity to deflect in bending and exhibit non-linear deformation before failing. The calculated failure strains range from 1.5% to 3.8%. The simulated vacuum drying heat treatment had the largest effect on fuel rods with ZIRLO and M5 cladding. In both cases the heat treatment caused increases in the plastic strain at failure, suggesting some annealing of irradiation damage is occurring. The finite element modeling of the 4pt bending test assume the pellet is a collection of pellet wedge pieces. The results for the Zircaloy-4 rods suggest that the pellets are bonded to the cladding and friction controls the relative motion of the pellet wedge pieces.

Cantonwine, Paul↗