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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Feasibility of Operating a Heavy-Duty Battery Electric Truck Fleet for Drayage Applications

Vehicle fleet electrification is regarded as one major pathway toward achieving energy independence and reducing air pollution and greenhouse gas emissions. Compared to light-duty and medium-duty vehicles, electrification of heavy-duty vehicles, especially Class 8 trucks, is more challenging owing to the battery size required to attain the driving range necessary for their operating goals. As drayage trucks generally have a limited daily mileage, return to a home base every night, and spend a large amount of time creeping and idling, drayage operation has been the first targeted application for Class 8 electric trucks. The feasibility of operating battery electric drayage trucks at the individual vehicle level has recently been demonstrated. However, questions remain as to whether these trucks are capable of meeting the needs of typical drayage operation at the fleet level. Here we present a feasibility analysis of operating an electric truck fleet based on real-world operation data of a diesel drayage operator in Southern California. Second-by-second activity data collected from 20 trucks in the fleet were used to estimate the corresponding electric energy consumption and the state of charge of the battery using a microscopic electric energy consumption model. An algorithm for generating tours of drayage activity from the collected data was developed and implemented. Multiple scenarios with different battery charging and truck scheduling assumptions were analyzed. The results show that 85% of the tours could be served by electric trucks if there is opportunity for charging at the home base during the time gap between consecutive tours.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Voltage-Based Strategies for Preventing Battery Degradation under Diverse Fast-Charging Conditions

Maintaining safe operating conditions is a key challenge for high-performance lithium-ion battery applications. The lithium-plating reaction remains a risk during charging, but limited studies consider the highly variable charging conditions possible in commercial cells. Here we combine pseudo-2D electrochemical modeling with data visualization methods to reveal important relationships between the measurable cell voltage and difficult-to-predict Li-plating onset criteria. An extensively validated model is used to compute Li plating for thousands of multistep charging conditions spanning diverse rates, temperatures, states-of-charge, and cell aging. Here we observe an empirical cell operating voltage limit below which plating does not occur across all conditions, and this limit varies with the battery state-of-charge and aging. A model sensitivity analysis also indicates that, when comparing two charging voltage profiles, the capacity difference at 4.0 V correlates well with the difference in the plating onset capacity. These results encourage simple strategies for Li-plating prevention that are complementary to existing battery controls.

25 ENERGY STORAGE↗
DOE OSTI2022

Compressor is A Sensor: A Universal Refrigerant Charge Fault Detection and Diagnostics Method Based on Pump Down Operation

The primary goal of this report is to develop a universal charge fault detection method that requires only a few experimental data with high prediction accuracy. Currently, pump-down operations is typical practices by HVAC technicians when they need to open the refrigerant circuit to make a repair. In addition, compressors have a built-in low-pressure cut-off protection function, and the compressor performance maps are commonly available from manufacturers. The new charge fault detection and diagnostics method innovatively utilizes the typical pump down operation, the compressor’s low-pressure cut-off protection, and the compressor performance map. It does not require any geometry information of heat exchangers, refrigerant lines, or charge buffers.

42 ENGINEERING↗
DOE OSTI2023

Calibration of the ProtoDUNE Horizontal-Drift position reconstruction using a laser system

Forthcoming in the next decade of neutrino physics advancements is the construction of the Deep Underground Neutrino Experiment (DUNE), a long baseline neutrino oscillation experiment which has the potential to answer fundamental questions such as why there is more matter than antimatter in the universe, and ultimately why we exist at all. A prototype of this experiment, ProtoDUNE, sits in a charged particle test beam at the European Organization for Nuclear Research (CERN) and uses Liquid Argon time projection chambers to image interactions of these particles. ProtoDUNE Single-Phase (ProtoDUNESP) had positively charged hadrons as well as positrons in its initial 2018 beam data run. Because ProtoDUNE is a surface-based time projection chamber, it experiences a constant influx of cosmic rays. These cosmic rays ionize the liquid argon within the detector, resulting in an accumulation of slow moving positive ions towards the cathode. This local charge distribution results in electric field non uniformities, which can have a significant effect on the accuracy of the event reconstruction. This paper outlines a monte carlo simulation study which adapts methodology from the MicroBooNE experiment, another neutrino oscillation experiment, to derive electric field correction maps which can correct for distortions of the electric field within the detector. These correction maps accurately estimate the electric field throughout the detector volume and correct for uncertainties in reconstructed event data enabling for physics discoveries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Charged Ferroelectric Domain Walls for Deterministic ac Signal Control at the Nanoscale

The direct current (dc) conductivity and emergent functionalities at ferroelectric domain walls are closely linked to the local polarization charges. Depending on the charge state, the walls can exhibit unusual dc conduction ranging from insulating to metallic-like, which is leveraged in domain-wall-based memory, multilevel data storage, and synaptic devices. In contrast to the functional dc behaviors at charged walls, their response to alternating currents (ac) remains to be resolved. Here, we reveal ac characteristics at positively and negatively charged walls in ErMnO 3 , distinctly different from the response of the surrounding domains. By combining voltage-dependent spectroscopic measurements on macroscopic and local scales, we demonstrate a pronounced nonlinear response at the electrode-wall junction, which correlates with the domain-wall charge state. The dependence on the ac drive voltage enables reversible switching between uni- and bipolar output signals, providing conceptually new opportunities for the application of charged walls as functional nanoelements in ac circuitry.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Coordinated Thermal Safety Attack and Defense on EV Battery Management Systems

Battery temperature sensor and battery current sensor data which are key sensing inputs to the Battery Management Controllers in electric vehicles, are vulnerable to possible cyber/ physical manipulation due to known vulnerabilities inherited from CAN bus technology that is used for in-vehicle communications between electronic control units that transfer sensing and control data. In this paper, we first create a simulation that enables us to evaluate impact of cyber physical attacks on electric vehicle battery management system in a controlled environment that violates thermal safety. Specifically, we emulate a Level 3 - DC fast charging system with SAE J1772/CCS, integrated with standard charging controls and thermal safety controls on EVs, and various sensing data flows. Second, we propose a coordinated current and battery temperature attack that has crippling economic, and safety impacts. Third, we quantify the usability, economic and safety impacts of such attacks as a function of the extent of data manipulation. Finally, we propose a physics model driven detection technique to detect presence of such attacks.

25 ENERGY STORAGE↗
DOE OSTI2023

Two-particle azimuthal correlations in γp interactions using pPb collisions at s NN = 8.16 TeV

The first measurements of the Fourier coefficients ( V n Δ ) of the azimuthal distributions of charged hadrons emitted from photon-proton (γp) interactions are presented. The data are extracted from 68.8 nb −1 of ultra-peripheral proton-lead (pPb) collisions at s NN = 8.16 TeV using the CMS detector. The high energy lead ions produce a flux of photons that can interact with the oncoming proton. This γp system provides a set of unique initial conditions with multiplicity lower than in photon-lead collisions but comparable to recent electron-positron and electron-proton data. The V n Δ coefficients are presented in ranges of event multiplicity and transverse momentum ( p T ) and are compared to corresponding hadronic minimum bias pPb results. For a given multiplicity range, the mean p T of charged particles is smaller in γp than in pPb collisions. For both the γp and pPb samples, V 1 Δ is negative, V 2 Δ is positive, and V 3 Δ consistent with 0. For each multiplicity and p T range, V 2 Δ is larger for γp events. The γp data are consistent with model predictions that have no collective effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Detection of a Cobalt-Containing Interphase at the Li 6 PS 5 Cl-NMC111 Interface by In Situ μ XANES and EIS

Sulfide electrolyte all-solid-state lithium batteries (ASLBs) with uncoated Li-Ni x Mn y Co 1–x–y O 2 (NMC) cathodes suffer from a large capacity loss during initial cycling and an increase in cell impedance. Decomposition reactions are known to occur at the Li 6 PS 5 Cl-NMC111 interface due to incompatibility between the two materials. If a stabilizing coating is applied to the NMC, it delivers full capacity during initial charge. However, the loss in capacity during discharge still occurs. The interface was studied by μ XANES and through EIS analysis. A chemically-formed interphase was detected by μ XANES, evident from reduction of Co at an uncoated NMC particle surface. This interphase was produced by decomposition at rest. To study the effect of the interphase on electrochemically active surface area, piecewise in situ EIS was performed and the data was modeled using a transmission line model (TLM). The charge transfer resistance R CT was used to estimate the volume specific active surface area (a act ). The median value for a act was 296 cm –1 , a factor of 7.5 lower than the theoretical value of 2216 cm –1 . This provided evidence of a lower electrochemically active surface area in the ASLB.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Estimating the Breakeven Cost of Delivered Electricity to Charge Class 8 Electric Tractors

As vehicle electrification expands from the light-duty sector to include larger commercial medium- and heavy-duty vehicles, businesses need to decide if electrification is appropriate for their fleets. A key factor in this decision will be the total cost of ownership for on-road electric Class 8 tractors compared to their combustion counterparts. This report examines the breakeven price of electricity for electric Class 8 tractor charging to address its importance in the total cost of ownership for the operation of an electrified fleet and to account for the inherent differences of higher-power charging. To understand the likely cost of delivered energy--in this report the breakeven price--to charge electric tractors, this study followed an analysis framework that considers a wide range of factors to estimate the breakeven price to charge at various station types. This requires an estimation of electric vehicle adoption trajectories and analysis of real-world fleet data to assess energy needs of heavy-duty electric tractors and to determine expected charging station demand over time. Station demand informs the level of electric vehicle supply equipment (EVSE) deployment that is necessary at each station type, as well as the site utilization and anticipated load profiles. Then, by accounting for a wide range of capital investments, operating costs, and other expenses, a breakeven price of energy is determined.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Quantum Information Science in High Energy Physics at the Large Hadron Collider (Final Report-QuantISED)

We pursue scientific research at the interface of High Energy Physics and Quantum Information Science. This includes studies of thermal radiation and quantum entanglement in high-energy collisions at the Large Hadron Collider (LHC), with special emphasis on entanglement entropy and the Higgs boson. This project has also been extended to include quantum entanglement and charged current weak interactions using Fermilab results. And most recently, we have begun tests of the temporal entanglement using LHC data. Collider experiments such as proton-proton collisions at the LHC yield hadrons that exhibit an exponential behavior at low transverse momenta. This surprising behavior is seen in data from both the ATLAS and CMS collaborations. We attribute this phenomenon to quantum entanglement between the regions in the nucleon wave function. The exponential component to the transverse momentum distribution is a result of thermal radiation that is akin to Hawking or Unruh radiation that should exist at the event horizon of astrophysical black holes and neutron stars. The Principal Investigator, in collaboration with a theoretical physicist at Stony Brook University and Brookhaven National Laboratory, and with Yale University students, has shown evidence for this thermal radiation in several production and decay processes in the ATLAS and CMS data, and its connection to entanglement entropy (O.K. Baker and D.E Kharzeev, Phys. Rev. D 98, 054007 (2018)), including even the Higgs boson sector. Interestingly, this thermal behavior is also seen in momentum distributions of charged current weak interactions according to our studies. These findings suggest a deep connection between quantum entanglement (entanglement entropy) and thermalization in both hadron collisions at the energy frontier and neutrino scattering at the intensity frontier. We have confirmed the proposed relation between the effective temperature and the hard-scattering scale at lower energies using the most recent LHC data for the following systems: Higgs bosons, top quarks, and charged hadrons. Additionally, we have results for hadron production in neutrino scattering from nuclei using Fermilab weak interaction data. This study is carried out using data from the MINERvA collaboration. In those cases where entanglement is expected, there is an exponential component to the momentum distribution, while this component is absent in those processes where no entanglement is expected. This research thus tests the hypothesis about a link between quantum entanglement and thermalization in strong and weak interactions. See Phys Lett B 811, 135948 (2020). We also initiated research applying a quantum search algorithm (Grover's Algorithm) to LHC data. This quantum algorithm was used to show how rare events in LHC data can be searched for in large, unsorted databases, with quadratic speedup compared to classical search algorithms on classical computers. See "Application of a Quantum Search Algorithm to High- Energy Physics Data at the Large Hadron Collider", arXiv:2010.00649 [quant-ph].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Quantum pattern recognition algorithms for charged particle tracking

High-energy physics is facing a daunting computing challenge with the large datasets expected from the upcoming High-Luminosity Large Hadron Collider in the next decade and even more so at future colliders. A key challenge in the reconstruction of events of simulated data and collision data is the pattern recognition algorithms used to determine the trajectories of charged particles. The field of quantum computing shows promise for transformative capabilities and is going through a cycle of rapid development and hence might provide a solution to this challenge. This article reviews current studies of quantum computers for charged particle pattern recognition in high-energy physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

New proxies for second-order cumulants of conserved charges in heavy-ion collisions within the EPOS4 framework

Proxies for cumulants of baryon number 𝐵, electric charge 𝑄, and strangeness 𝑆 are usually measured in heavy-ion collisions via moments of net-number distribution of given hadronic species. Since these cumulants of conserved charges are expected to be sensitive to the existence of a critical point in the phase diagram of nuclear matter, it is crucial to ensure that the proxies used as substitutes are as close to them as possible. Hence, we use the EPOS 4 framework to generate Au + Au collisions at several collision energies of the BNL Relativistic Heavy Ion Collider beam energy scan. We compute second-order net cumulants of 𝜋, 𝐾, and 𝑝, for which experimental data have been published as well as the corresponding conserved charge cumulants. We then compare them with proxies, defined in previous lattice QCD and hadron resonance gas model studies, which are shown to reproduce more accurately their associated conserved charge cumulants. We investigate the impact of hadronic rescatterings occurring in the late evolution of the system on these quantities, as well as the amount of signal actually originating from the bulk medium which endures a phase transition.

Physics↗
DOE OSTI2021

Excitonic structure and charge separation in the heliobacterial reaction center probed by multispectral multidimensional spectroscopy

Photochemical reaction centers are the engines that drive photosynthesis. The reaction center from heliobacteria (HbRC) has been proposed to most closely resemble the common ancestor of photosynthetic reaction centers, motivating a detailed understanding of its structure-function relationship. The recent elucidation of the HbRC crystal structure motivates advanced spectroscopic studies of its excitonic structure and charge separation mechanism. We perform multispectral two-dimensional electronic spectroscopy of the HbRC and corresponding numerical simulations, resolving the electronic structure and testing and refining recent excitonic models. Through extensive examination of the kinetic data by lifetime density analysis and global target analysis, we reveal that charge separation proceeds via a single pathway in which the distinct A 0 chlorophyll a pigment is the primary electron acceptor. In addition, we find strong delocalization of the charge separation intermediate. Our findings have general implications for the understanding of photosynthetic charge separation mechanisms, and how they might be tuned to achieve different functional goals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Optimizing workplace charging facility deployment and smart charging strategies

This study introduces a workplace charging (WPC) optimization model that maximizes the total satisfied electric miles of employees’ plug-in electric vehicles, subject to a given annual budget. The model optimizes both planning decisions of charger number and power levels and operation decisions of charging spot assignment and charging schedule for the given temporal distribution of charging demands and varied electricity prices. Results of experiments based on national average travel data indicate that the actual WPC strategy varies by budget level. Through optimization, the strategy could reduce impacts of the varied electricity price by shifting charging schedules to periods when electricity prices are low. Also, the model is expanded to study the trade-off between providing WPC and addressing consequence of degraded charging service by including the per-mile shadow cost of unsatisfied charging demand. Finally, we observe that their relative competitiveness mainly depends on the actual shadow cost of WPC.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2026

Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine enhanced-sampling molecular dynamics with empirical potentials, data distillation, and pretraining on short-range atomic energies (A-Train), followed by transfer learning with DFT-relabeled datasets. This hierarchical approach improves transferability across polymorphs and stress states. We further introduce effective charge separation, treating long-range Coulombic terms analytically while short-range residual interactions are learned by the NNP. The optimal effective charges fall in the range 0.5–1.0 q e , consistent with dielectric-screened values derived from formal charges but distinct from Bader estimates. Motivated by this observation, we propose a simple data-driven protocol in which effective charges are optimized by comparing DFT reference energies with explicit Coulomb calculations, without additional NNP training. This strategy improves accuracy and transferability in DFT-level predictions of energies, forces, and stress. Together, these results provide a practical charge-selection framework for robust NNP development in ionic solids, enabling reliable simulation of polymorphic phase transformations and non-equilibrium dynamics.

Chemistry↗
DOE OSTI2021

A hierarchical gray-box dynamic modeling methodology for direct-expansion cooling systems to support control stability analysis; Méthodologie de modélisation dynamique hiérarchique de type boîte grise pour les systèmes de refroidissement à détente directe afin de soutenir l'analyse de stabilité de la commande

In this paper, a gray-box dynamic modeling approach for direct-expansion cooling systems is presented. The overall approach incorporates a multi-stage training procedure that consists of 1) identification of component sub-models from quasi-steady-state performance data, 2) system model integration with estimation of refrigerant charge and 3) fine tuning of thermal capacitances of the evaporator and condenser to capture the system dynamic responses. Compared to traditional physics-based models, the proposed modeling approach has advantages including reduced engineering efforts in the model development phase, improved computational efficiency and enhanced prediction accuracy. The modeling method was validated using a 3-ton variable-speed heat pump and proved to be capable of accurately predicting the system transient behaviors over a wide range of operating conditions. The established dynamic model was then applied for control stability analysis, with a specific goal of determining a proper control execution time step. The case study results showed that the stable control execution time step could change significantly, from 3 sec to 19 sec, as the operating conditions and control settings vary, and a proper selection of the execution time step is critical to ensure stable and reliable operations.

42 ENGINEERING↗
DOE OSTI2021

Structure, Magnetism, and First-Principles Modeling of the Na 0.5 La 0.5 RuO 3 Perovskite

High-purity polycrystalline Na 0.5 La 0.5 RuO 3 was synthesized by a solid-state method, and its properties were studied by magnetic susceptibility, heat capacity, and resistivity measurements. In this study, we find it to be an orthorhombic perovskite, in contrast to an earlier report, with random La/Na mixing. With a Curie–Weiss temperature of –231 K and an effective moment of 2.74 μB/mol Ru, there is no magnetic ordering down to 1.8 K. A broad hump at 1.4 K in the heat capacity, however, indicates the presence of a glassy magnetic transition, which we attribute to the influence of the random distribution of Na and La on the perovskite A-sites. Comparison to CaRuO 3 , a structurally ordered ruthenate perovskite with a similar A-site ionic radius and magnetic properties, is presented. First-principles calculations indicate that the Na–La distribution determines the local magnetic exchange interactions between Ru ions, favoring either antiferromagnetic or ferromagnetic coupling when the local environment is Na- or La-rich. Thus, our data and analysis suggest that mixing cations with different charges and sizes on the A-site in this perovskite results in magnetic frustration through a balance of local magnetic exchange interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Transport of colloidal particles in microscopic porous medium analogs with surface charge heterogeneity: experiments and fundamental role of single-bead deposition

Understanding colloid transport in subsurface environments is challenging due to complex interactions between colloids, ground water, and porous media over several length scales. Here, we study the transport of colloidal particles through bead-assembled microfluidic porous media analogs (PMAs) with surface charge heterogeneity. The pore-scale dynamics of colloidal particle deposition were measured, as well as the breakthrough curves (BTC) and retention profiles (RP) of deposited colloidal particles at the scale of the entire PMA. From pore-scale experiments, the maximum surface coverage (?max = 0.51) was measured directly, from which the surface blocking function and deposition coefficient (kpore = 3.56 s-1) were obtained. Using these pore-scale parameters, the transport of colloidal particles was modeled using a one-dimensional advection-dispersion equation under the assumption of irreversible adsorption between oppositely charged beads and colloids, showing good agreement with experimental data. This work presents a new approach to fabricate chemically heterogeneous porous media in a microfluidic device that enables direct measurements of pore-scale colloidal deposition. The approach allows a quantitative prediction of colloidal breakthrough and retention via coupling of direct measurements and an advection-dispersion-deposition model.

Guo, Yang↗