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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multiple pulse charge transfer for capacitive deionization of a fluid

The present disclosure relates to a capacitive deionization system which makes use of a controller, a first capacitor acting as a first electrode, a second capacitor acting as a second electrode, and a first inductor for storing energy received from the first capacitor, and transferring the stored energy to the second capacitor. A first plurality of electronic switches are controlled by the controller to control communication between the first inductor and the first capacitor, and between the first inductor and the second capacitor. An additional energy transfer subsystem is included which has a second inductor for receiving energy from the first capacitor while the first inductor is transferring stored energy to the second capacitor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications

One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application to large molecules and extended materials. Quantum embedding offers a promising solution by partitioning complex systems into manageable subsystems. In this Review, we highlight recent advances in multireference density matrix embedding and localized active space self-consistent field approaches for complex molecules and extended materials. We discuss both classical implementations and the emerging potential of these methods on quantum computers. Here, by extending classical embedding concepts to the quantum landscape, these algorithms have the potential to expand the reach of multireference methods in quantum chemistry and materials.

Algorithms↗
DOE OSTI2022

Availability and redundancy design considerations for Electron-Ion Collider cooling water systems and components

The Electron-Ion Collider (EIC) is composed of several large-scale systems, which all require highly available cooling systems based on the Conceptual Design Report. Since the overall EIC availability goal is 85%, all the subsystems will contribute. Availability is defined by the time that a component or system is functional given a required or scheduled run time. The focus of the project was to determine if redundant or extra cooling water and deionized water pumps were needed in a subsystem to increase the overall EIC availability. The largest subsystem in the ring is the 10 o’clock cooling system, so this was used for redundancy analysis. Relationships between the components were defined as parallel, series, or m-out-of-n for the cooling towers, valves, pumps and heat exchangers to perform calculations. A comparison between an original system versus a redundant one was then done using component availability from industry standards. Cost analysis was also performed to see how much the availability and cost would decrease if the redundancy application was not chosen. The Collider-Accelerator Department (CAD) also has a calculation in place for the Relativistic-Heavy Ion Collider (RHIC), so cooling water failure data was collected from their operational log and analyzed for real-life component availability. A comparison of component availability from the CAD data to the industry standards was made through the 10 o’clock cooling system layout. The results showed that the subsystems need to have over a 98% availability for an 85% goal, and that the CAD data is very close to the industry component standards. The cost differential is miniscule compared to the potential availability increase. Therefore, redundant systems can increase the overall EIC availability by a sizable amount and are worth implementing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Systems and methods for flexible, high-density opto-electronic arrays

An opto-electronic probe system is disclosed. The probe system has a probe element including at least one microelectrode, with the probe element being implantable in tissue of an anatomy to receive electrical signals generated within the anatomy. A subsystem is included for at least one of generating excitation signals to be used in stimulating the anatomy, or for receiving electrical signals received from the anatomy. An interface portion is included which is in communication with the subsystem for communicating at least one of electrical signals or optical signals indicative of the electrical signals received by the microelectrode.

Patra, Susant↗
DOE OSTI2024

ITER ECH Transmission Line System Design and Status

The electron cyclotron (EC) heating & current drive (H&CD) system on ITER provides plasma heating by generating, transmitting, and launching high-intensity, high-frequency (170 GHz) electromagnetic wave energy steerable across the plasma cross-section. The transmission line (TL) subsystem connects the Matching Optics Unit (MOU) on each of the 24 gyrotrons to the 32 feed points in the four upper launchers and the 24 feed points in the equatorial launcher. Each TL must be able to operate at up to 1.2 MW of input power for up to 1 hour pulse lengths. The TL system contains 50 mm water-cooled corrugated waveguide, 90o miter bends, 140o miter bends, polarizer miter bend pairs, switches, expansion units, pumpouts, DC breaks, MOU-TL adapters, Radio Frequency (RF) loads, and isolation shutter valves. A detailed finite element analysis has been used to verify the thermo-mechanical performance of each component. The microwave performance has been analyzed using a 2-D electromagnetic code combined with a Monte Carlo code. This approach allows the impact of manufacturing and installation tolerances to be assessed and optimized to provide a high probability of achieving the system performance requirements. Prototypes of the waveguide and TL components have been fabricated and tested at high-power. Production contracts are now being issued for fabrication and delivery of the waveguide and components to ITER.

Hanson, Gregory↗
DOE OSTI2023

System and method for microwave volumetric additive manufacturing

The present disclosure relates to a volumetric additive manufacturing system for forming a structure from a volume of resin using microwave energy. The system makes use of an electronic controller and at least one beam forming algorithm accessible by the electronic controller for generating information relating to an amplitude and a time delay for forming a microwave signal, where the microwave signal will be used in irradiating a build volume, and where the build volume is formed by the volume of resin. A microwave signal generating subsystem is included which is responsive to the information generated by the beam forming algorithm, and which generates a microwave signal using the amplitude and the time delay determined by the beam forming algorithm. An antenna is used to receive the microwave signal and project the microwave signal as a microwave beam, in accordance with the amplitude and time delay, into the build volume to form the structure.

Mukherjee, Saptarshi↗
DOE OSTI2021

Optimal toolpath generation system and method for additively manufactured composite materials

The present disclosure relates to a system for optimizing an additive manufacturing (AM) process. The system may use a printing component for using a material to form a component in a layer-by-layer process. An electronic controller may control movement of one of the printing component or a substrate on which the component is being formed, in a manner to optimize a toolpath for the printing component as each layer of the component is formed. Optimization operations are performed using an optimization subsystem which enables manufacturability constraints, as well as optimized toolpaths for each layer of the component, to be defined using contours of a level-set function. The level-set function may be used to define the optimized toolpaths within a fixed, predetermined grid, and the optimized toolpaths then used to generate suitable code for controlling movement of the printing component relative to the substrate to create the part or structure in a layer-by-layer process, using the optimized toolpaths.

Lewicki, James↗
DOE OSTI2026

Design, development and commissioning of a multi-alkali semiconductor photocathode deposition system for the IUAC Delhi light source photoinjector

A fourth-generation light source, called Delhi Light Source (DLS) based on photocathode-based RF gun has been commissioned at Inter-University Accelerator Centre, New Delhi. Presently, the electron beam is being generated from copper photocathode and the beam is being used for scheduled experiments. Soon, the semiconductor photocathode will be used to produce higher beam current. Here, to develop the semiconductor photocathode, a dedicated photocathode deposition facility was developed in collaboration with Brookhaven national Laboratory (BNL) and has been successfully commissioned and becomes operational at IUAC. This deposition facility is an integrated system with the electron gun and is a unique system as it is capable of producing, preserving (without residual gas poisoning) and in-vacuum transfer of the deposited photocathodes from the deposition chamber up to the RF electron gun. The system is designed to operate under ultra-high vacuum (UHV) and is equipped with load-lock chambers, substrate heating assembly, thickness monitoring via a quartz crystal microbalance (QCM), and an in-situ setup for quantum efficiency (QE) measurements. After testing of all the subsystems and a detailed calibration, the first deposition of a cesium telluride (Cs 2 Te) photocathode was successfully performed on a copper (Cu) substrate. This successful commissioning and initial deposition mark a significant step toward the indigenous photocathode development and lays the groundwork for further research into advanced photo emissive materials at IUAC. This paper will discuss the salient features, installation, commissioning, first semiconductor photocathode deposition and its results.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Beam delivery and beamstrahlung considerations for ultra-high energy linear colliders

As part of the Snowmass'21 community planning excercise, the Advanced Accelerator Concepts (AAC) community proposed future linear colliders with center-of-mass energies up to 15 TeV and luminosities up to 50 × 1034 cm -2 s -1 in a compact footprint. In addition to being compact, these machines must also be energy efficient. We identify two challenges that must be addressed in the design of these machines. First, the Beam Delivery System (BDS) must not add significant length to the accelerator complex. Second, beam parameters must be chosen to mitigate beamstrahlung effects and maximize the luminosity-per-power of the machine. In this paper, we review advances in plasma lens technology that will help to reduce the length of the BDS system, and we detail new Particle-in-Cell simulation studies that will provide insight into beamstrahlung mitigation techniques. We apply our analysis to both $e$ + $e$ - and $γγ$ colliders. The challenges and solutions described in this paper are considered independently. In conclusion, a unified, self-consistent concept for a BDS system for a 15 TeV linear collider will be the subject of future work.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Methane Mitigation Thermoelectric Generator (MMTEG) (Final Scientific/ Technical Report)

Gas Technology Institute (GTI) has completed a $1.815M (plus $500K cost share), 54-month Co-operative agreement with the Department of Energy’s National Energy Technology Laboratory to develop a Methane Mitigation Thermoelectric Generator (MMTEG) system for gas field applications. This novel system uses fugitive gas to produce electrical power and consists of Thermoelectric Generators (TEG) driven by a linear burner, an air compressor, an accumulator, valves, batteries, and power electronics. The electrical power generated by the system is used to compress air and, in turn, the air is used to operate the pneumatic valves at the well site instead of using natural gas (NG) which would then be vented. The team completed the project objectives which included (1) Design, fabricate and test an integrated 6We nominal MMTEG prototype system, (2) Design a “retrofit kit” MMTEG system capable of being field tested at a gas well production site, and (3) build and test the field MMTEG system in a laboratory environment. Multiple system options were developed prior to selecting a “Passive” system which meets cost, NG savings, and greenhouse gas (GHG) reduction targets although not as efficient as initially planned. The MMTEG system is built primarily from commercial off-the-shelf parts (in some cases re-purposed) including the heat exchanger, heat rejection, electronic components, and also the TEGs. The team developed and implemented a novel system including the control system developed by Morrison Applied Sciences (MAS). The team completed incremental demonstrations of the hardware prior to the MMTEG system demonstration. A one-year simulation of the air delivery and battery charging subsystems was completed prior to the integration into the MMTEG system. In addition, the team simulated two-years of thermal cycles for integrated Burner/TEG/heat rejection subsystem. Finally, the entire MMTEG system was assembled, and troubleshooting was completed over a two-week period. Next, the MMTEG system was tested to simulate over 15 weeks of entire system operation over approximately four weeks in an accelerated test fashion with minimal intervention (such as changing fuel tanks). The MMTEG system met the key goals of a unit cost of under $1500 while saving 97% of NG expended today (including leakage) on average by pneumatic systems venting to the atmosphere. The MMTEG system reduced GHG emissions by 1000X (using the methane intensification factor of 28 relative to CO2). GTI is currently pursuing a field test of the MMTEG system. Interfacing with producers has provided additional insight into system improvements. Planned improvements include additional weather protection and control system improvements including the implementation of a long- range radio capability to notify operators if there is a fault.

03 NATURAL GAS↗
DOE OSTI2023

Structure and magnetism of AlCoCrCuFeNi high-entropy alloy

We report on the investigation of magnetic and structural properties of AlCoCrCuFeNi, which is known to crystallize in a dual phase solid solution: the face-centred cubic (FCC) or the body-centred cubic (BCC). The results of neutron (NPD) and synchrotron powder diffraction (SXRD) allow to partially resolve magnetic information coming from BCC and FCC phases, which is impossible in the bulk magnetic measurements. Electron diffraction (PED) revealed that AlCoCrCuFeNi forms dendritic microstructure with the Cu-rich FCC phase and the Ni-rich BCC phase. Lattice parameters obtained from PED method are in good agreement with parameters obtained after refinement on the basis of powder X-ray diffraction measurements. The local crystal and electronic structure around Co was studied using Co K X-ray Absorption Spectroscopy (XAS). The magnetic measurements show that AlCoCrCuFeNi reveal a ferromagnetic transition at about 330K and displays magnetic hysteresis loop at the room temperature. Results from NPD suggest that the magnetic moment is mostly located in the BCC subsystem. The alloy shows soft magnetic properties. Saturated magnetizations (M s ), remanence ratio (M r /M s ) and coercivity (H c ) of the cast are estimated to be 45.10emu/g, 5.1% and 56 Oe at 300K, respectively. Finally, the BCC-FCC phase transformation up to 673K (400°C) was investigated using temperature dependent NPD, where a possible second BCC phase was identified.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hard–Soft Acid–Base Theory Explains Photoexcited Carrier Dynamics in Porphyrin/CNT Nanohybrids: Time-Domain Atomistic Analysis

We employ the fundamental chemical concepts of hard− soft acid−base to formulate general principles governing excited-state dynamics in zinc porphyrin (ZnP)/carbon nanotube (CNT) hybrids for energy photoconversion. Atomistic quantum dynamics simulations demonstrate that electron-withdrawing and donating substituents at the ZnP β-pyrrolic position strongly influence the dynamics. ZnP photoexcitation produces subpicosecond electron transfer (ET) from ZnP to CNT, in agreement with the experiment. Substitutions of CN by H and tBu accelerate the ET. The trend is directly related to the hard−soft acid−base concept because the soft−soft interaction between the t Bu- ZnP acid and the mild CNT base enhances the donor−acceptor coupling. Longer coherence and more active vibrational modes facilitate the ET in t Bu-ZnP/CNT. Electron−hole recombination in CN-ZnP/CNT occurs on a hundred picosecond time scale, nicely corroborated by the experiment. The exciton lifetime is extended beyond a nanosecond by the substitutions. The soft−soft interaction in t Bu-ZnP/ CNT increases the splitting between the highest occupied orbitals of the two subsystems, reduces their mixing, and decreases nonadiabatic coupling between the ground and excited states. Rapid decoherence and involvement of low-frequency vibrations favor longer lifetimes. Our investigation reveals that larger p K a of the β-pyrrolic acid gives rapid ET and slow recombination and provides detailed mechanistic information, essential for future optoelectronic applications.

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

Magnetic field induced structural changes in magnetite observed by resonant x-ray diffraction and Mössbauer spectroscopy

When a magnetic field is applied to a single crystal of magnetite at 124 K > T > 50 K , the monoclinic c M axis, which is the easy magnetization axis, switches to one of the $\langle$100$\rangle$ cubic directions, nearest to the direction of the magnetic field, and the phenomenon known as an axis switching (AS) occurs. Here, a global symmetry probe, resonant x-ray scattering, and a local probe, Mössbauer spectroscopy, are used to better understand the mechanism of axis switching. The behavior of three subsystems ordered below the Verwey transition temperature T V , i.e., lattice distortion, an orbital, and charge orderings, was observed via resonant x-ray scattering as a function of an external magnetic field. This was preceded by calculation of selected peak intensities using the fdmnes code. The Mössbauer spectroscopy studies confirmed that the magnetic field triggers electronic rearrangements and atomic displacements. The structure observed after the process of axis switching is very similar to the one obtained after cooling below T V with the magnetic field applied along one of the initial $\langle$100$\rangle$ cubic directions and distinct from the cooling in the absence of a magnetic field. From all the experimental observations of the phenomenon done so far, it is clear that AS starts from the fluctuations between octahedral iron orbitals that ultimately lead to the Verwey transition, but also to the higher-temperature trimeron dynamics. Therefore, further observation of the axis switching may be a key point to the understanding of a majority of strongly correlated electronic behavior in magnetite as well as in other transition metal oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantum embedding for material chemistry based on domain separation and open subsystems

Our perspective considers two theories we recently proposed to perform quantum embedding calculations for chemical systems: domain-separated density functional theory (DSDFT) and locally coupled open subsystems (LCOS). The development includes both the fundamentals of each theory as well as potential applications, some technical aspects, and related challenges. DS-DFT is suited to study intramolecular effects, where one can apply a high level of theory (based on DFT or wave function theory) to a region of interest inside a molecule or solid, and lower level theory elsewhere, with smooth switching between the regions. LCOS, in contrast, is a fragment-based embedding which offers computational advantages to study intermolecular behavior such as electron hopping, spin-environment interaction, and charge transfer excitations. Yet, both theories can exchange roles when appropriate. In addition, these theories allow for control of computational scaling of their algorithms. We investigate paths to determine the charge-transfer operator used in LCOS, and suggest an auxiliary energy minimization that can provide a practical estimate to this operator. We also briefly discuss how to implement density fitting techniques in domain separation, and how domain separation can be used for pure wavefunction-based embedding.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

A neural network for beam background decomposition in Belle II at SuperKEKB

Here, we describe a neural network for predicting the background hit rate in the Belle II detector produced by the SuperKEKB electron-positron collider. The neural network, BGNet, learns to predict the individual contributions of different physical background sources, such as beam-gas scattering or continuous top-up injections into the collider, to Belle II sub-detector rates. The samples for learning are archived 1 Hz time series of diagnostic variables from the SuperKEKB collider subsystems and measured hit rates of Belle II used as regression targets. We test the learned model by predicting detector hit rates on archived data from different run periods not used during training. We show that a feature attribution method can help interpret the source of changes in the background level over time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Whitepaper submitted to Snowmass21: Advanced accelerator linear collider demonstration facility at intermediate energy

It is widely accepted that the next lepton collider beyond a Higgs factory would require center-of-mass energy of the order of up to 15 TeV. Since, given reasonable space and cost restrictions, conventional accelerator technology reaches its limits near this energy, high-gradient advanced acceleration concepts are attractive. Advanced and novel accelerators (ANAs) are leading candidates due to their ability to produce acceleration gradients on the order of 1--100~GV/m, leading to compact acceleration structures. Over the last 10-15 years significant progress has been achieved in accelerating electron beams by ANAs. For example, the demonstration of several-GeV electron beams from laser-powered capillary discharge waveguides, as well as the proof-of-principle coupling of two accelerating structures powered by different laser pulses, has increased interest in ANAs as a viable technology to be considered for a compact, TeV-class, lepton linear collider. However, intermediate facilities are required to test the technology and demonstrate key subsystems. A 20-100 GeV center-of-mass energy ANA-based lepton collider can be a possible candidate for an intermediate facility. Apart from being a test beam facility for accelerator and detector studies, this collider will provide opportunities to study muon and proton beam acceleration, investigate charged particle interactions with extreme electromagnetic fields (relevant for beam delivery system designs and to study the physics at the interaction point), as well as precision Quantum Chromodynamics and Beyond the Standard Model physics measurements. Possible applications of this collider include the studies of $\gamma\gamma$ and $e$-ion collider designs.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Dissipation-assisted steady-state entanglement engineering based on electron transfer models

Here, we propose a series of dissipation-assisted entanglement generation protocols that can be implemented on a trapped-ion quantum simulator. Our approach builds on the single-site molecular electron transfer (ET) model recently realized in experiment [So et al., Sci. Adv. 10, eads8011 (2024)]. This model leverages spin-dependent boson displacement and dissipation controlled by sympathetic cooling. We show that, when coupled to external degrees of freedom, the ET model can be used as a dissipative quantum control mechanism, enabling the precise tailoring of both spin and boson steady states of a target subsystem. We derive simplified analytical formalisms that offer intuitive insights into the dissipative dynamics. Using realistic interactions in a trapped-ion system, we develop a protocol for generating 𝑁-qubit and 𝑁-boson 𝑊 states. Additionally, we generalize this protocol to realize generic 𝑁-qubit Dicke states with tunable excitation numbers. Finally, we outline a realistic experimental setup to implement our schemes in the presence of noise sources.

chemical charge transfer↗
DOE OSTI2021

Electron lenses in RHIC: status and prospects

Two electron lenses are installed in Relativistic Heavy Ion Collider (RHIC). They were used as operational head-on beam-beam compensators in proton-proton collisions, with Gaussian transverse electron beam profiles. One of the lenses was also used with a hollow transverse profile to test hadron beam halo removal under various conditions. Although presently not in the design, the lenses may find applications in the Electron-ion Collider (EIC) for either collimation or beam-beam mitigation.

43 PARTICLE ACCELERATORS↗