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Openet: Applications of Satellite-Based Evapotranspiration Data for Water Resources Management in the Western United States

Advancing water security in overallocated river basins globally requires consistent and reproducible information on consumptive use of water that can anchor the development of data-driven solutions to the challenge of balancing water supply and demand. OpenET is a fully automated system for field-scale (30 m), satellite-based mapping of evapotranspiration (ET) at daily, monthly and annual timesteps. OpenET currently provides spatially contiguous data throughout the 23 westernmost states in the continental US, and includes both current information as well as multi-year timeseries of ET. The OpenET consortium has implemented an ensemble of satellite-based ET models (ALEXI/DisALEXI, eeMETRIC, PT-JPL, geeSEBAL, SIMS and SSEBop) on Google Earth Engine, which provides a shared computing platform for collaboration on processing of data from Landsat and other satellites, land cover and meteorological inputs, leading to increased consistency and accuracy across the ensemble of models. Earth Engine also facilitates hosting and distribution of data via open data collections and an application programming interface. We provide updates on the OpenET framework, open data services and data access tools, approach to geographic expansion, recent accuracy assessments, and describe how a user-driven design approach has facilitated successful applications of OpenET data for a wide range of water resource management activities. Applications to date include: use of ET data to improve quantification of ET and consumptive use in Oregon, Utah and the Upper Colorado River Basin; streamlining of water use reporting requirements in the California Delta; support for calculation of water budgets for the implementation of the Sustainable Groundwater Management Act in California; and integration into decision support tools for irrigation management. The use cases demonstrate how satellite-derived ET data that are easily accessed and seen as broadly accepted can accelerate adoption of innovative water management practices at scale, and support advances in the sustainability of water supplies. Uptake and use of data by the OpenET science community has also led to advances in our understanding of the impacts of landcover change, irrigation intensification and wildfire events on hydrology and the water security.

Applications↗
DOE OSTI2025

Towards an Introspective Dynamic Model of Globally Distributed Computing Infrastructures

Large-scale scientific collaborations like ATLAS, Belle II, CMS, DUNE, and others involve hundreds of research institutes and thousands of researchers spread across the globe. These experiments generate petabytes of data, with volumes soon expected to reach exabytes. Consequently, there is a growing need for computation, including structured data processing from raw data to consumer-ready derived data, extensive Monte Carlo simulation campaigns, and a wide range of end-user analysis. To manage these computational and storage demands, centralized workflow and data management systems are implemented. However, decisions regarding data placement and payload allocation are often made disjointly and via heuristic means. A significant obstacle in adopting more effective heuristic or AI-driven solutions is the absence of a quick and reliable introspective dynamic model to evaluate and refine alternative approaches. In this study, we aim to develop such an interactive system using real-world data. By examining job execution records from the PanDA workflow management system, we have pinpointed key performance indicators such as queuing time, error rate, and the extent of remote data access. The dataset includes five months of activity. Additionally, we are creating a generative AI model to simulate time series of payloads, which incorporate visible features like category, event count, and submitting group, as well as hidden features like the total computational load—derived from existing PanDA records and computing site capabilities. These hidden features, which are not visible to job allocators, whether heuristic or AI-driven, influence factors such as queuing times and data movement.

kilic, Ozgur Ozan [Brookhaven National Laboratory ↗
DOE OSTI2017

Compact FEL-driven inverse compton scattering gamma-ray source

Many research and applications areas require photon sources capable of producing gamma-ray beams in the multi-MeV energy range with reasonably high fluxes and compact footprints. Besides industrial, nuclear physics and security applications, a considerable interest comes from the possibility to assess the state of conservation of cultural assets like statues, columns etc., via visualization and analysis techniques using high energy photon beams. Computed Tomography scans, widely adopted in medicine at lower photon energies, presently provide high quality three-dimensional imaging in industry and museums. We explore the feasibility of a compact source of quasi-monochromatic, multi-MeV gamma-rays based on Inverse Compton Scattering (ICS) from a high intensity ultra-violet (UV) beam generated in a free-electron laser by the electron beam itself. This scheme introduces a stronger relationship between the energy of the scattered photons and that of the electron beam, resulting in a device much more compact than a classic ICS for a given scattered energy. As a result, the same electron beam is used to produce gamma-rays in the 10–20 MeV range and UV radiation in the 10–15 eV range, in a ~4 × 22 m 2 footprint system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Physiochemical Machine Learning Models Predict Operational Lifetimes of CH3NH3PbI3 Perovskite Solar Cells

Halide perovskites are promising photovoltaic (PV) materials with the potential to lower the cost of electricity and greatly expand the penetration of PV if they can demonstrate long-term stability under illumination in the presence of moisture and oxygen. The solar cell service lifetime as quantified by the T80 (the time required for the power conversion efficiency to drop to 80% of its starting value) is a useful metric to assess stability. The T80 for utility, commercial, or residential PV systems needs to be several decades in order to yield low-cost electricity, and thus it is not practical to directly measure the T80. It would be useful if T80 could be predicted from the initial dynamics of a solar cell’s performance, but until now no models have been developed to forecast T80. In this work, we report the development of machine learning models to predict T80 of ITO/NiOx/CH3NH3PbI3/C60/BCP/Ag solar cells operating at maximum power point under 1-sun equivalent photon flux in air at varying temperatures and relative humidities. Efficiency losses are driven by short-circuit current and fill factor, indicating that chemical decomposition of the perovskite is a major contributor to degradation. Spatial patterns evident from in situ dark field optical microscopy suggest that the electric field gradient at device edges plays a significant role in perovskite decomposition, along with photochemical reactions with O2 and H2O. Models are trained using a menu of features from three distinct categories: (i) features based on measurements of the initial rates of change of device parameters, (ii) features based on the ambient conditions during operation (temperature, & partial pressure of H2O), and (iii) features based on underlying physics and chemistry. We show that a theory-based physiochemical feature derived from a model of the chemical reaction kinetics of the rate of degradation of the CH3NH3PbI3 is particularly valuable for prediction. This physiochemical feature was selected as the first or second most dominant feature in the best performing models. With a dataset consisting of 45 accelerated degradation experiments with T80 that range over a factor of 30, the model predicts T80 with an accuracy of about 40% (|predicted T80 - observed T80| / observed T80) on samples not used in training. This hybrid ML approach should be effective when applied to other compositions, device architectures, and advanced packaging schemes.

14 SOLAR ENERGY↗
DOE OSTI2022

Physiochemical Machine Learning Models Predict Operational Lifetimes of CH3NH3PbI3 Perovskite Solar Cells

Halide perovskites are promising photovoltaic (PV) materials with the potential to lower the cost of electricity and greatly expand the penetration of PV if they can demonstrate long-term stability under illumination in the presence of moisture and oxygen. The solar cell service lifetime as quantified by the T80 (the time required for the power conversion efficiency to drop to 80% of its starting value) is a useful metric to assess stability. The T80 for utility, commercial, or residential PV systems needs to be several decades in order to yield low-cost electricity, and thus it is not practical to directly measure the T80. It would be useful if T80 could be predicted from the initial dynamics of a solar cell’s performance, but until now no models have been developed to forecast T80. In this work, we report the development of machine learning models to predict T80 of ITO/NiOx/CH3NH3PbI3/C60/BCP/Ag solar cells operating at maximum power point under 1-sun equivalent photon flux in air at varying temperatures and relative humidities. Efficiency losses are driven by short-circuit current and fill factor, indicating that chemical decomposition of the perovskite is a major contributor to degradation. Spatial patterns evident from in situ dark field optical microscopy suggest that the electric field gradient at device edges plays a significant role in perovskite decomposition, along with photochemical reactions with O2 and H2O. Models are trained using a menu of features from three distinct categories: (i) features based on measurements of the initial rates of change of device parameters, (ii) features based on the ambient conditions during operation (temperature, & partial pressure of H2O), and (iii) features based on underlying physics and chemistry. We show that a theory-based physiochemical feature derived from a model of the chemical reaction kinetics of the rate of degradation of the CH3NH3PbI3 is particularly valuable for prediction. This physiochemical feature was selected as the first or second most dominant feature in the best performing models. With a dataset consisting of 45 accelerated degradation experiments with T80 that range over a factor of 30, the model predicts T80 with an accuracy of about 40% (|predicted T80 - observed T80| / observed T80) on samples not used in training. This hybrid ML approach should be effective when applied to other compositions, device architectures, and advanced packaging schemes.

14 SOLAR ENERGY↗
DOE OSTI2026

A tutorial on high-order harmonic generation in atoms, molecules, and condensed matter

This tutorial introduces strong-field-driven high-order harmonics, their experimental generation and characterization techniques, and their main applications including attosecond pulse generation and ultrafast spectroscopy of the target material. We begin from the use of atomic targets, where the first high-order harmonic generation (HHG) experiments were realized in the late 1980s. Then, we briefly discuss the basics of the microscopic generation mechanism and how various steps of the mechanism were exploited in applications such as generating isolated attosecond pulses and probing molecular orbitals. We introduce and describe the standard experimental approaches for condensed phase HHG, where we discuss unique technical challenges of the use of solid-state materials, such as the mitigation of plasma formation and laser damage. We cover the fundamentals of high-harmonic spectroscopy in condensed matter systems, such as wide bandgap dielectrics, semiconductors, liquid media, and 2D-crystals. We provide some examples of rapidly emerging spectroscopic capabilities, such as for probing crystal symmetries, Berry phases, and associated non-trivial topological properties of the source material. Finally, we provide an overview of the research field, including some of the challenges, opportunities, and open questions.

Attosecond pulses↗
DOE OSTI2013

On the small divergence of laser-driven ion beams from nanometer thick foils

We report on experimental studies of divergence of proton beams from nanometer thick diamond-like carbon foils irradiated by a linearly polarized intense laser with high contrast. Proton beams with extremely small divergence (half angle) of 2° are observed in addition with a remarkably well-collimated feature over the whole energy range, showing one order of magnitude reduction of the divergence angle in comparison to the results from μm thick targets. Similar features are reproduced in two-dimensional particle-in-cell simulations with parameters representing our experiments, indicating a strong influence from the electron density distribution on the divergence of protons. Our comprehensive experimental study reveals grand opportunities for using nm foils in experiments that require high ion flux and small divergence.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

A multi-MeV alpha particle source via proton-boron fusion driven by a 10-GW tabletop laser

Nuclear fusion between protons and boron-11 nuclei has undergone a revival of interest thanks to the rapid progress in pulsed laser technology. Potential applications of such reaction range from controlled nuclear fusion to radiobiology and cancer therapy. A laser-driven fusion approach consists in the interaction of high-power, high-intensity pulses with H- and B-rich targets. We report on an experiment exploiting proton-boron fusion in CN-BN targets to obtain high-energy alpha particle beams (up to 5 MeV) using a very compact approach and a tabletop laser system with a peak power of ~10 GW, which can operate at high-repetition rate (up to 1 kHz). The secondary resonance in the cross section of proton-boron fusion (~150 keV in the center-of-mass frame) is exploited using a laser-based approach. The generated alpha particles are characterized in terms of energy, flux, and angular distribution using solid-state nuclear-track detectors, demonstrating a flux of ~10 5 particles per second at 10 Hz, and ~10 6 per second at 1 kHz. Hydrodynamic and particle-in-cell numerical simulations support our experimental findings. Potential impact of our approach on future spread of ultra-compact, multi-MeV alpha particle sources driven by moderate intensity (10 16 -10 17 W/cm 2 ) laser pulses is anticipated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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 OSTI2025

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗
DOE OSTI2018

Relativistic-electron-driven magnetic reconnection in the laboratory

Magnetic reconnection is a fundamental process occurring in many plasma systems. Magnetic field lines break and reconfigure in to a lower energy state, converting released magnetic field energy into plasma kinetic energy. Around some of the universe’s most energetic objects, such as gamma ray burst or active galactic nuclei, where the magnetic field energy exceeds the plasma rest mass energy, the most extreme magnetic reconnection in the relativistic regime is theorized. The pre- sented experiments and three-dimensional particle-in-cell modeling recreate in the laboratory the scaled plasma conditions necessary to access the relativistic electron regime and therefore approach conditions around these distant, inaccessible objects. High-power, ultrashort laser pulses focused to high-intensity (I > 2.5 × 1018 Wcm-2) on solid targets produces relativistic temperature electrons within the focal volume. The hot electrons are largely confined to the target surface and form a ra- dial surface current that generates a huge, expanding azimuthal magnetic field. Focusing two laser pulses in close proximity on the target surface leads to oppositely directed magnetic fields being driven together. The fast electron motion due to the magnetic reconnection is inferred using an ex- perimental x-ray imaging technique. The x-ray images enable the measurement of the reconnection layer dimensions and temporal duration. The reconnection rates implied from the aspect ratio of the reconnection layer, δ/L ≈ 0.3, was found to be consistent over a range of experimental pulse durations (40 fs–20 ps) and agreed with the modeling. Further experimental evidence for magnetic reconnection is the formation of a nonthermal electron population shown by the modeling to be accelerated in the reconnection layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

High yield neutron generators using the DD reaction

A product line of high yield neutron generators has been developed at Adelphi technology inc. The generators use the D-D fusion reaction and are driven by an ion beam supplied by a microwave ion source. Yields of up to 5 Multiplication-Sign 10{sup 9} n/s have been achieved, which are comparable to those obtained using the more efficient D-T reaction. The microwave-driven plasma uses the electron cyclotron resonance (ECR) to produce a high plasma density for high current and high atomic ion species. These generators have an actively pumped vacuum system that allows operation at reduced pressure in the target chamber, increasing the overall system reliability. Since no radioactive tritium is used, the generators can be easily serviced, and components can be easily replaced, providing essentially an unlimited lifetime. Fast neutron source size can be adjusted by selecting the aperture and target geometries according to customer specifications. Pulsed and continuous operation has been demonstrated. Minimum pulse lengths of 50 {mu}s have been achieved. Since the generators are easily serviceable, they offer a long lifetime neutron generator for laboratories and commercial systems requiring continuous operation. Several of the generators have been enclosed in radiation shielding/moderator structures designed for customer specifications. These generators have been proven to be useful for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA) and fast neutron radiography. Thus these generators make excellent fast, epithermal and thermal neutron sources for laboratories and industrial applications that require neutrons with safe operation, small footprint, low cost and small regulatory burden.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Disturbance legacies regulate coastal forest soil stability to changing salinity and inundation: A soil transplant experiment

Coastal forests worldwide are vulnerable to a dramatic transition from upland to wetland as sea-level rise accelerates and regimes of precipitation and storms change. However, the biogeochemical impacts of shifting salinity and inundation disturbance that foreshadow forest to wetland state transitions are largely unknown. This experiment used a natural salinity gradient in a tidal creek in eastern Maryland, U.S.A., to examine how soil respiration and chemistry may change under novel salinity and inundation disturbance regimes. Soil monoliths were transplanted in a reciprocal design among plots varying in seawater exposure and elevation above the creek. We monitored the monoliths’ carbon dioxide (CO 2 ) flux for two years and performed soil chemical analyses at the end of the experiment. Soil CO 2 flux was affected by changing disturbance regimes and responses were dependent upon the salinity and inundation legacies associated with each study location. Lowland soil CO 2 flux was resistant to changing salinity and inundation disturbance, with transplanted soil monolith chemistry composition in between that of its origin and destination. Conversely, upland soil CO 2 flux was sensitive to changing salinity and inundation disturbance and remained suppressed throughout the 2-year study when exposed to wetter, saline conditions. Additionally, transplanted upland soil chemistry composition was like that of its destination, rather than origin, with upland soils displaying higher pH, base saturation, and nutrient availability relative to lowland soils. Here, we hypothesize that reductions in soil respiration rates were driven by loss of soil nutrients and osmotic and redox stress on microbial communities following exposure to seawater. Together, our results suggest that disturbance legacies shape coastal forest soil responses to changing salinity and inundation disturbance regimes. However, fully understanding the dependence of system responses on disturbance legacies requires future study across a variety of systems and spatial and temporal scales.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

An Analysis of Closure Mechanisms in the Plasma Wake of the TSS-1R Satellite

Collisionless Plasma Expansion (CPE), also known as "plasma expansion into a vacuum," in its most fundamental form, is the process by which a plasma expands into a void, or region highly depleted of particles. In CPE, the expansion is driven by the highly mobile electron constituent of the plasma as it moves across the density gradient and into the void region. A bi-polar electric field is set up between this rapidly expanding electron front and the massive ions, which have a low thermal speed and lag behind in the region of the plasma-void interface. These ions are quickly accelerated by the expansion electric field and can, theoretically, approach the thermal speed of the electrons. CPE is a fundamental and a very robust process in that it only requires that a sharp density gradient exist in a plasma. It has already been observed to exist in various plasmas ranging over five orders of magnitude in density. The range of phenomena in which CPE has been observed includes the closure of plasma wakes created in simulated space plasmas in the laboratory; it was found to be the process controlling the refilling of the wake created by the Space Shuttle in the ionospheric plasma; and recent in situ data, obtained by the WIND spacecraft as it passed through the wake of the earth's moon last year, have shown CPE to be involved in the closure of the Lunar wake. CPE is also expected to influence the morphology and physics of the solar wind interactions with Mercury and Mars, and has been suggested as a potential factor in such wide ranging phenomena as the acceleration of plasma away from the coma of comets and the energization of ions that underlies the upward expansion of the polar wind into the earth's magnetosphere. The Tethered Satellite System (TSS)-1R data provides an opportunity to test this process in situ under semi-controlled conditions. The available data shows the intensity, drift energy and angle of inclination to the wake of the converging ion streams at a down stream distance of one satellite radius (80 CM).

Stone, N. H.↗
DOE OSTI2015

Improvements of the magnetic field design for SPIDER and MITICA negative ion beam sources

The design of the magnetic field configuration in the SPIDER and MITICA negative ion beam sources has evolved considerably during the past four years. This evolution was driven by three factors: 1) the experimental results of the large RF-driven ion sources at IPP, which have provided valuable indications on the optimal magnetic configurations for reliable RF plasma source operation and for large negative ion current extraction, 2) the comprehensive beam optics and heat load simulations, which showed that the magnetic field configuration in the accelerator is crucial for keeping the heat load due to electrons on the accelerator grids within tolerable limits, without compromising the optics of the negative ion beam in the foreseen operating scenarios, 3) the progress of the detailed mechanical design of the accelerator, which stimulated the evaluation of different solutions for the correction of beamlet deflections of various origin and for beamlet aiming. On this basis, new requirements and solution concepts for the magnetic field configuration in the SPIDER and MITICA beam sources have been progressively introduced and updated until the design converged. The paper presents how these concepts have been integrated into a final design solution based on a horizontal “long-range” field (few mT) in combination with a “local” vertical field of some tens of mT on the acceleration grids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Instabilities driven by the fundamental crabbing mode

The Electron Ion Collider (EIC) requires crab cavities to correct for crossing angle effects. These cavities produce a time varying horizontal kick that makes the collision head on in the center of mass frame of the bunches. This results in a luminosity that is very close to the the luminosity obtained without a crossing angle. Producing the kick requires a transverse RF field. This field requires a superconducting resonator and reasonable power levels require loaded quality factors of order a million. This results is a very large transverse impedance for the crabbing mode. The horizontal beta function is large and this, coupled with the large transverse impedance of the resonator can lead to strong instabilities. In the first section of the paper a simple model is used to describe the situation without feedback. There are large ranges of tune leading to strong instabilities in both the electron and hadron storage rings of the EIC. These estimates are confirmed with simulations. In the second section, RF feedback is used to reduce the apparent impedance of the crabbing mode. Simulating the actual feedback would require both a significant rewrite of the tracking code and a significant reduction in computational speed. Instead, the apparent impedance is fitted using one pole filters, which allows use of the existing simulation code. In the third section a transverse damping system is outlined.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

We recently outlined an efficient multi-tiered parallel ab initio excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground and excited state energies and gradients of large supramolecular complexes in atomistic detail – enabling us to undertake non-adiabatic simulations which explicitly account for the coupled anharmonic vibrational motion of all the constituent atoms in a supramolecular system. Here we apply that framework to the 27 coupled bacterio-chlorophyll-a chromophores which make up the LH2 complex, using it to compute an on-the-fly nonadiabatic surface-hopping (SH) trajectory of electronically excited LH2. Part one of this article is focussed on calibrating our ab initio exciton Hamiltonian using two key parameters: a shift δ, which corrects for the error in TDDFT vertical excitation energies; and an effective dielectric constant ε, which describes the average screening of the transition-dipole coupling between chromophores. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, we tune the values of both δ and ε through fitting to the thermally broadened experimental absorption spectrum, giving a linear absorption spectrum that agrees reasonably well with experiment. In part two of this article, we construct a time-resolved picture of the coupled vibrational and excitation energy transfer (EET) dynamics in the sub-picosecond regime following photo-excitation. Assuming Franck–Condon excitation of a narrow eigenstate band centred at 800 nm, we use surface hopping to follow a single nonadiabatic dynamics trajectory within the full eigenstate manifold. Consistent with experimental data, this trajectory gives timescales for B800→B850 population transfer (τ B800→B850 ) between 650–1050 fs, and B800 population decay (τ 800→ ) between 10–50 fs. The dynamical picture that emerges is one of rapidly fluctuating LH2 eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the atomic vibrations of the constituent chromophores. The eigenstate fluctuations arise from disorder that is driven by vibrational dynamics with multiple characteristic timescales. The scalability of our ab initio excitonic computational framework across massively parallel architectures opens up the possibility of addressing a wide range of questions, including how specific dynamical motions impact both the pathways and efficiency of electronic energy-transfer within large supramolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Projecting Recent Advancements in Battery Technology to Next–Generation Electric Vehicles

Electric vehicles (EVs) have seen rapid growth in adoption over the last several years. Advancements to increase battery life and performance, policy shifts, and high charging rate are expected to further accelerate the development of next generation of EVs. Battery improvements continue to emerge, enabling increased driving range, total distance driven over the life of vehicles, and ability to charge at high rates. Herein, an analysis framework to provide insights into inclusive design metrics, such as specific energy of batteries, energy consumption of vehicles, and charging power infrastructure development, is developed. Various cell-level fast charge protocols to realistic battery designs to understand the infrastructure needs associated with achieving range replacement of 32.25 km min -1 (20 mi min -1 ) are also scaled. Additionally, by calculating scaled power and peak to average power ratio, it is found that there needs to be more distinct alignment between the research efforts focused at the cell level and what is being developed for EV charging infrastructure needs. Finally, impact of high direct current voltage architecture in next-generation EVs is discussed. The findings in this work provide an insight into recent advancements in battery technology to next-generation EVs.

20 mi/min↗