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A Linear Bicharacteristic FDTD Method

The linear bicharacteristic scheme (LBS) was originally developed to improve unsteady solutions in computational acoustics and aeroacoustics [1]-[7]. It is a classical leapfrog algorithm, but is combined with upwind bias in the spatial derivatives. This approach preserves the time-reversibility of the leapfrog algorithm, which results in no dissipation, and it permits more flexibility by the ability to adopt a characteristic based method. The use of characteristic variables allows the LBS to treat the outer computational boundaries naturally using the exact compatibility equations. The LBS offers a central storage approach with lower dispersion than the Yee algorithm, plus it generalizes much easier to nonuniform grids. It has previously been applied to two and three-dimensional freespace electromagnetic propagation and scattering problems [3], [6], [7]. This paper extends the LBS to model lossy dielectric and magnetic materials. Results are presented for several one-dimensional model problems, and the FDTD algorithm is chosen as a convenient reference for comparison.

Beggs, John H.↗

Turbulent Concentration of MM-Size Particles in the Protoplanetary Nebula: Scaled-Dependent Multiplier Functions

The initial accretion of primitive bodies (asteroids and TNOs) from freely-floating nebula particles remains problematic. Here we focus on the asteroids where constituent particle (read "chondrule") sizes are observationally known; similar arguments will hold for TNOs, but the constituent particles in those regions will be smaller, or will be fluffy aggregates, and are unobserved. Traditional growth-bysticking models encounter a formidable "meter-size barrier" [1] (or even a mm-cm-size barrier [2]) in turbulent nebulae, while nonturbulent nebulae form large asteroids too quickly to explain long spreads in formation times, or the dearth of melted asteroids [3]. Even if growth by sticking could somehow breach the meter size barrier, other obstacles are encountered through the 1-10km size range [4]. Another clue regarding planetesimal formation is an apparent 100km diameter peak in the pre-depletion, pre-erosion mass distribution of asteroids [5]; scenarios leading directly from independent nebula particulates to this size, which avoid the problematic m-km size range, could be called "leapfrog" scenarios [6-8]. The leapfrog scenario we have studied in detail involves formation of dense clumps of aerodynamically selected, typically mm-size particles in turbulence, which can under certain conditions shrink inexorably on 100-1000 orbit timescales and form 10-100km diameter sandpile planetesimals. The typical sizes of planetesimals and the rate of their formation [7,8] are determined by a statistical model with properties inferred from large numerical simulations of turbulence [9]. Nebula turbulence can be described by its Reynolds number Re = L/eta sup(4/3), where L = ETA alpha sup (1/2) the largest eddy scale, H is the nebula gas vertical scale height, and α the nebula turbulent viscosity parameter, and η is the Kolmogorov or smallest scale in turbulence (typically about 1km), with eddy turnover time tη. In the nebula, Re is far larger than any numerical simulation can handle, so some physical model is needed to extend the results of numerical simulations to nebula conditions.

protoplanetary nebula↗

Turbulent Concentration of mm-Size Particles in the Protoplanetary Nebula: Scale-Dependent Cascades

The initial accretion of primitive bodies (here, asteroids in particular) from freely-floating nebula particles remains problematic. Traditional growth-by-sticking models encounter a formidable "meter-size barrier" (or even a mm-to-cm-size barrier) in turbulent nebulae, making the preconditions for so-called "streaming instabilities" difficult to achieve even for so-called "lucky" particles. Even if growth by sticking could somehow breach the meter size barrier, turbulent nebulae present further obstacles through the 1-10km size range. On the other hand, nonturbulent nebulae form large asteroids too quickly to explain long spreads in formation times, or the dearth of melted asteroids. Theoretical understanding of nebula turbulence is itself in flux; recent models of MRI (magnetically-driven) turbulence favor low-or- no-turbulence environments, but purely hydrodynamic turbulence is making a comeback, with two recently discovered mechanisms generating robust turbulence which do not rely on magnetic fields at all. An important clue regarding planetesimal formation is an apparent 100km diameter peak in the pre-depletion, pre-erosion mass distribution of asteroids; scenarios leading directly from independent nebula particulates to large objects of this size, which avoid the problematic m-km size range, could be called "leapfrog" scenarios. The leapfrog scenario we have studied in detail involves formation of dense clumps of aerodynamically selected, typically mm-size particles in turbulence, which can under certain conditions shrink inexorably on 100-1000 orbit timescales and form 10-100km diameter sandpile planetesimals. There is evidence that at least the ordinary chondrite parent bodies were initially composed entirely of a homogeneous mix of such particles. Thus, while they are arcane, turbulent concentration models acting directly on chondrule size particles are worthy of deeper study. The typical sizes of planetesimals and the rate of their formation can be estimated using a statistical model with properties inferred from large numerical simulations of turbulence. Nebula turbulence is described by its Reynolds number Re = (L/eta)(exp 4/3), where L = H alpha(exp 1/2) is the largest eddy scale, H is the nebula gas vertical scale height, alpha the turbulent viscosity parameter, and eta is the Kolmogorov or smallest scale in turbulence (typically about 1km), with eddy turnover time t(sub eta). In the nebula, Re is far larger than any numerical simulation can handle, so some physical arguments are needed to extend the results of numerical simulations to nebula conditions. In this paper, we report new physics to be incorporated into our statistical models.

mm-size particles↗

EGS Collab Testbed 2: Laser Scanned 4100 L Drift Map

The EGS Collab project is evaluating a site for Experiment 2 (hydraulic fracturing/shearing) at a depth of 1.25 km in the Sanford Underground Research Facility (SURF) on the 4100 Level. Two early test holes were drilled in an alcove (formerly known as Battery Charging Station) near Yates Shaft. Recently, we conducted a laser survey around the Testbed 2 to capture the details of the drift. This submission package includes the laser scanned drift map around the Testbed 2. The drift map data are presented in AutoCAD (*dxf), Leapfrog mesh (*.msh), and point cloud (*.csv) file formats. Note: The coordinate system used is local Homestake Mine Coordinate (HMC) system from an old gold mine that was in operation for over 100 years.

15 GEOTHERMAL ENERGY↗

CABLE Big Idea RDD&D Workshop (Workshop Summary Report)

The U.S. Department of Energy’s (DOE’s) Advanced Manufacturing Office (AMO) held the CABLE Big Idea RDD&D Workshop April 7–9, 2021. The virtual workshop brought together approximately 250 leading scientific and technical experts to gather information on the state of the art in conductivity-enhanced materials and their applications. These stakeholders included scientists, engineers, manufacturers, materials experts, utility companies, and other entities within the conductor material and electrical product manufacturing supply chains. The two main goals of the workshop were to 1) start building and strengthening a research ecosystem around conductivity-enhanced materials and 2) inform AMO’s future portfolio of research, development, demonstration, and deployment (RDD&D) investments and other program activities in the area of conductivity-enhanced materials. CABLE—or Conductivity-enhanced materials for Affordable, Breakthrough Leapfrog Electric and thermal applications—was was established as an Office of Energy Efficiency and Renewable Energy initiative as a result of a competitive internal process to identify and prioritize potentially high-impact research topics. Since then, conductivity-enhanced materials have been identified as an important element of the shift to an electrified and decarbonized industry sector, and CABLE remains a Big Idea. The CABLE effort is led by AMO and supported by eight other offices within DOE. The first major effort under CABLE was the development of several subtopics for DOE’s Small Business Innovation Research/Small Business Technology Transfer (SBIR/STTR) programs in 2020. Another major activity was the launch of the CABLE Conductor Manufacturing Prize in March 2021.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part I: Model Formulation

Here, this paper formulates a new particle-in-cell method for the Vlasov–Maxwell system. Under the Lorenz gauge condition, Maxwell’s equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The use of potentials for the fields motivates the adoption of a Hamiltonian formulation for particles that employs the generalized (conjugate) momentum. A notable advantage offered by the Hamiltonian formulation is the elimination of time derivatives in the Lorenz gauge formulation that are required by the standard Newton–Lorentz treatment of the particles. This allows the fields to retain the full time-accuracy guaranteed by the field solver. The resulting updates for particles require only knowledge of the fields and their spatial derivatives. An analytical method for constructing these spatial derivatives is presented that exploits the underlying integral solution used in the field solver for the wave equations. Moreover, these derivatives are demonstrated to converge at the same rate as the fields in both time and space. The Method of Lines Transpose field solver we consider in this work is globally first-order accurate in time and high-order accurate in space (e.g., fourth- and fifth-order) and belongs to a larger class of methods which are unconditionally stable, can address geometry, and leverage $\mathcal {O}(N)$ fast summation methods for efficiency. We demonstrate the method on several well-established benchmark problems on bounded domains, including a plasma sheath as well as a relativistic particle beam. The efficacy of the proposed formulation is established by comparing with a second-order accurate finite-difference time-domain method that employs a leapfrog time advance for particles and a charge conserving map suitable for bounded domains. The new method shows mesh-independent numerical heating properties even in cases where the plasma Debye length is smaller than the grid spacing. This is an important feature of the new method for problems defined on bounded domains, because it permits the use of coarser grids in space in the representation of the fields. Such a capability has significant implications for the simulation of plasmas in bounded domains with complex geometry, where the ratio between the largest and smallest cells can vary significantly. The use of high-order spatial approximations in the new method also means that fewer grid points are required in order to achieve a fixed accuracy. Our results also suggest that the new method can be used with fewer simulation particles per cell compared to the benchmark explicit method, which permits further computational savings.

97 MATHEMATICS AND COMPUTING↗

Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation

Microtubules (MTs) constitute the largest components of the eukaryotic cytoskeleton and play crucial roles in various cellular processes, including mitosis and intracellular transport. The property allowing MTs to cater to such diverse roles is attributed to dynamic instability, which is coupled to the hydrolysis of GTP (guanosine-5'-triphosphate) to GDP (guanosine-5'-diphosphate) within the β-tubulin monomers. Understanding the equilibrium dynamics and the structural features of both GDP- and GTP-complexed MT tips, especially at an all-atom level, remains challenging for both experimental and computational methods because of their dynamic nature and the prohibitive computational demands of simulating large, many-protein systems. This study employs the “equation-free” multiscale computational method to accelerate the relaxation of all-atom simulations of MT tips toward their putative equilibrium conformation. Using large MT lattice systems (14 protofilaments × 8 heterodimers) comprising ~21-38 million atoms, we applied this multiscale approach to leapfrog through time and nearly double the computational efficiency in realizing relaxed all-atom conformations of GDP- and GTP-complexed MT tips. Commencing from an initial 4 μs unbiased all-atom simulation, we interleave coarse projective “equation-free” jumps with short bursts of all-atom molecular dynamics simulation to realize an additional effective simulation time of 1.875 μs. Our 5.875 μs of effective simulation trajectories for each system expose the subtle yet essential differences in the structures of MT tips as a function of whether β-tubulin monomer is complexed with GDP or GTP, as well as the lateral interactions within the MT tip, offering a refined understanding of features underlying MT dynamic instability. Furthermore, the approach presents a robust and generalizable framework for future explorations of large biomolecular systems at atomic resolution.

Wu, Jiangbo [University of Chicago, IL (United Sta↗

Implicit highly-coupled single-ion Hall-MHD formulation for hybrid particle-in-cell codes

The rudiments of a particle-based single-fluid two-temperature magnetohydrodynamic (MHD) algorithm have been outlined in Thoma et al. (2013). The extension of this algorithm to include the effect of Hall physics is described in this paper. An implicit leapfrog version of the algorithm, which allows timesteps large compared to the resistive decay time and other relevant timescales, has recently been added to a hybrid particle-in-cell code. In standard MHD the Hall term in the generalized Ohm’s law can often be neglected when the Hall parameter is small. This term must, however, be retained in regimes where it is non-negligible. The retention of displacement current in Maxwell’s equations avoids the numerical difficulties associated with the whistler mode, which are encountered in standard explicit Hall-MHD codes, and allows the algorithm to be incorporated into hybrid particle-in-cell codes, for which particles may migrate from a kinetic to fluid to MHD description based upon local ambient plasma conditions. A highly-coupled implicit Hall-MHD formalism is presented, in which displacement current can either be retained or neglected. Even when displacement current is neglected, the highly-coupled implicit formalism avoids the restrictive timesteps for the whistler mode in explicit Hall-MHD codes. A comparison of numerical and analytic dispersion analysis demonstrates the feasibility of this approach and establishes relevant constraints to assure numerical stability. The implementation of the algorithm is described, and test simulation results in 1D and 2D in both linear and nonlinear regimes are presented.

97 MATHEMATICS AND COMPUTING↗

Accurately simulating nine-dimensional phase space of relativistic particles in strong fields

Next-generation high-power laser systems that can be focused to ultra-high intensities exceeding 10 23 W/cm 2 are enabling new physics regimes and applications. The physics of how these lasers interact with matter is highly nonlinear, relativistic, and can involve lowest-order quantum effects. The current tool of choice for modeling these interactions is the particle-in-cell (PIC) method. In the presence of strong electromagnetic fields, the motion of charged particles and their spin is affected by radiation reaction (either the semi-classical or the quantum limit). Standard (PIC) codes usually use Boris or similar operator-splitting methods to advance the particles in standard phase space. These methods have been shown to require very small time steps in the strong-field regime in order to obtain accurate results. In addition, some problems require tracking the spin of particles, which creates a nine-dimensional (9D) particle phase space, i.e., (x, u, s). Therefore, numerical algorithms that enable high-fidelity modeling of the 9D phase space in the strong-field regime (where both the spin and momentum evolution are affected by radiation reaction) are desired. Here we present a new particle pusher that works in 9D and 6D phase space (i.e., with and without spin) based on analytical rather than leapfrog solutions to the momentum and spin advance from the Lorentz force, together with the semi-classical form of radiation reaction in the Landau-Lifshitz equation and spin evolution given by the Bargmann-Michel-Telegdi equation. Analytical solutions for the position advance are also obtained, but these are not amenable to the staggering of space and time in standard PIC codes. These analytical solutions are obtained by assuming a locally uniform and constant electromagnetic field during a time step. The solutions provide the 9D phase space advance in terms of a particle's proper time, and a mapping is used to determine the proper time step duration for each particle as a function of the lab frame time step. Due to the analytical integration of particle trajectory and spin orbit, the constraint on the time step needed to resolve trajectories in ultra-high fields can be greatly reduced. The time step required in a PIC code for accurately advancing the fields may provide additional constraints. We present single-particle simulations to show that the proposed particle pusher can greatly improve the accuracy of particle trajectories in 6D or 9D phase space for given laser fields. We have implemented the new pusher into the PIC code Osiris. Example simulations show that the proposed pusher provides improvement for a given time step. A discussion on the numerical efficiency of the proposed pusher is also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An explicit, energy-conserving particle-in-cell scheme

We present an explicit temporal discretization of particle-in-cell schemes for the non-relativistic Vlasov equation that results in exact energy conservation when combined with an appropriate spatial discretization. The scheme is inspired by a simple, second-order explicit scheme that conserves energy exactly in the Eulerian context. We show that direct translation to particle-in-cell does not result in strict conservation, but derive a simple correction based on an analytically solvable optimization problem that recovers conservation. While this optimization problem is not guaranteed to have a real solution for every particle, we provide a correction that makes imaginary values extremely rare and still admits $\mathcal{O}$(10 –12 ) fractional errors in energy for practical simulation parameters. We present the scheme in both electrostatic – where we use the Ampère formulation – and electromagnetic contexts. With an electromagnetic field solve, the field update is most naturally linearly implicit, but the more computationally intensive particle update remains fully explicit. Here, we also show how the scheme can be extended to use the fully explicit leapfrog and pseudospectral analytic time-domain (PSATD) field solvers. The scheme is tested on standard kinetic plasma problems, confirming its conservation properties.

Energy conservation↗

Genomic characterization of rare earth binding by Shewanella oneidensis

Abstract Rare earth elements (REE) are essential ingredients of sustainable energy technologies, but separation of individual REE is one of the hardest problems in chemistry today. Biosorption, where molecules adsorb to the surface of biological materials, offers a sustainable alternative to environmentally harmful solvent extractions currently used for separation of rare earth elements (REE). The REE-biosorption capability of some microorganisms allows for REE separations that, under specialized conditions, are already competitive with solvent extractions, suggesting that genetic engineering could allow it to leapfrog existing technologies. To identify targets for genomic improvement we screened 3,373 mutants from the whole genome knockout collection of the known REE-biosorbing microorganism Shewanella oneidensis MR-1. We found 130 genes that increased biosorption of the middle REE europium, and 112 that reduced it. We verified biosorption changes from the screen for a mixed solution of three REE (La, Eu, Yb) using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) in solution conditions with a range of ionic strengths and REE concentrations. We identified 18 gene ontologies and 13 gene operons that make up key systems that affect biosorption. We found, among other things, that disruptions of a key regulatory component of the arc system ( hptA ), which regulates cellular response to anoxic environments and polysaccharide biosynthesis related genes ( wbpQ , wbnJ , SO_3183 ) consistently increase biosorption across all our solution conditions. Our largest total biosorption change comes from our SO_4685 , a capsular polysaccharide (CPS) synthesis gene, disruption of which results in an up to 79% increase in biosorption; and nusA, a transcriptional termination/anti-termination protein, disruption of which results in an up to 35% decrease in biosorption. Knockouts of glnA , pyrD , and SO_3183 produce small but significant increases (≈ 1%) in relative biosorption affinity for ytterbium over lanthanum in multiple solution conditions tested, while many other genes we explored have more complex binding affinity changes. Modeling suggests that while these changes to lanthanide biosorption selectivity are small, they could already reduce the length of repeated enrichment process by up to 27%. This broad exploratory study begins to elucidate how genetics affect REE-biosorption by S. oneidensis , suggests new areas of investigation for better mechanistic understanding of the membrane chemistry involved in REE binding, and offer potential targets for improving biosorption and separation of REE by genetic engineering.

Medin, Sean↗

Utah FORGE: Data for 3-D Model Development - Lithology, Temperature, Pressure, and Stress

This submission comprises two downloadable .zip archives. Each archive contains spreadsheets with 3-D data and a .txt document describing the data. The Mesh Files .zip download contains data regarding the lithologic contacts of the granitoid and overlying sedimentary basin fill. The Initial Conditions .zip download contains data regarding temperature, pressure, and stress. These data were generated during Utah FORGE Phase 2 and exported from Seequent Leapfrog Geothermal. They are intended for use in 3-D earth modeling.

15 GEOTHERMAL ENERGY↗

EGS Collab Experiment 2: Earth Model Datasets

The EGS Collab Project performed a series of tests to increase the understanding the response of crystalline rock mass to stimulations and fluid circulation to efficiently implement enhanced geothermal systems (EGS) technologies. The EGS Collab team created two underground testbeds at the Sanford Underground Research Facility (SURF) in Lead SD at a depth of approximately 1.5 km (4850 level) and 1.25 km (4100 level) to examine hydraulic fracturing and hydraulic shearing, respectively. Experiment 2 was designed to examine hydraulic shearing and fluid flow in testbed 2 in amphibolite under a controlled set of stress and fracture conditions. This document summarizes the general geology, natural fractures, and conceptual model(s) of stimulated fracture networks in the testbed 2. The dataset package included here are input and output products associated with Earth Models for the EGS Collab Testbed 2. The earth model datasets are included in the whole package (project) in Leapfrog file format. Also, datasets are given in primary input file format (csv).

15 GEOTHERMAL ENERGY↗

Development of Saturated Zone Three-Dimensional Initial Condition Plumes for the Composite Analysis and Cumulative Impacts Evaluation Modeling

The purpose of this environmental calculation file (ECF) is to document and present the methodology, input data, and results of extending two-dimensional (2-D) plume depictions documented in DOE/RL- 2017-66, Hanford Site Groundwater Monitoring for 2017, into three dimensions (3-D) for select contaminants of interest (COIs) in the 200-BP-5, 200-UP-1, 200-ZP-1, and 200-PO-1 Groundwater Operable Units at the Hanford Site. Plumes with sufficient available vertical profile data were interpolated in 3-D using the Leapfrog Geo®1 geologic modeling platform, which includes an interpolation engine for analyzing and visualizing 3-D data. Results of these interpolations are intended for use in developing inputs for transport modeling to support forecasts of Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Building Blocks of Electric Vehicle Deployment: A Guide for Developing Countries

Countries can use electric transportation to help fulfill numerous goals, including greenhouse gas (GHG) emissions targets, local air quality goals, mobility objectives, energy security, and transportation resiliency. Vehicle electrification is a promising pathway to achieving clean energy transitions in the transport sector at scale. As vehicles electrify, the traditionally siloed electricity and transport sectors increasingly converge to create technical, institutional, and economic opportunities and challenges. To navigate this transition effectively, we propose the following foundational pillars or “building blocks” that undergird effective electric vehicle (EV) deployment. Jurisdictions with experience and mature EV markets offer useful lessons learned that may enable developing countries to leapfrog over common roadblocks. Nonetheless, developing countries face distinct challenges collectively, and individually, from developed countries that require careful consideration. From our work around the world, the U.S. Agency for International Development (USAID) and National Renewable Energy Laboratory (NREL) have witnessed interest growing in EVs for a variety of reasons. Lao People’s Democratic Republic (PDR), for example, looks toward EVs as a way to use their surplus of hydropower to displace expensive oil. Thailand and Pakistan seek economic development opportunities in EV manufacturing. Cities including Mexico City, Surat, India, and Kingston, Jamaica see the potential of bus electrification to improve local air quality and reduce traffic congestion. Many USAID partner countries in Southeast Asia are trying to understand how to reach ambitious EV deployment targets and implement EV and transportation plans. This pursuit is prompting questions about EV supply equipment (EVSE) standards, tariff design, and business models that affirm the importance of the building blocks outlined in this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Summary Report of the Reactive CO 2 Capture: Process Integration for the New Carbon Economy Workshop

Decarbonization of our global economy is required to limit planetary warming to +1.5⁰C above pre-industrial levels, an ambitious goal set into motion by the Paris agreement. Given the scale and urgency, the solution demands international, cross-sector advancements spanning policy, social responsibility, and technology, with emphasis on step changes over incremental changes. To that end, technological revolutions that disrupt the status quo need to be envisioned and enacted. One potential technological revolution is the production of fuels, chemicals, and materials from carbon dioxide (CO 2 ) as the starting feedstock, leveraging renewable energy as the driving force. Over the past decades, significant research, development, and deployment has occurred on technologies for capturing CO 2 from point sources or the air and utilizing this CO 2 as a working fluid or as a chemical reactant; however, most of this work has been siloed in these two categories. Recently, an emerging field has started to explore the direct integration of CO 2 capture and conversion technologies as a means to reduce overall energy demand (i.e., avoid energy penalty of CO 2 desorption/regeneration of capture media) and capital expense through process intensification. This strategy represents an opportunity to leapfrog forward this technological revolution. However, the field is in its infancy and the technologies are at an early stage of development, thus it is critically important to define and assess the value proposition of this strategy relative to alternatives (e.g., separated capture and conversion technologies, fuels and chemicals derived from renewable feedstocks like biomass, and industrial electrification) to chart a path forward. To identify next steps, we organized a workshop titled “Reactive CO 2 Capture: Process Integration for the New Carbon Economy” which was held in Golden, Colorado, February 18–19, 2020. The focus of this workshop was to discuss approaches for merging CO 2 capture and CO 2 conversion/utilization systems into what we denoted as an integrated "reactive capture" strategy. By our definition, reactive capture of CO 2 is the coupled process of capturing CO 2 from a mixed gas stream and converting it into a valuable product without going through a purified CO 2 intermediate (see full definition in the Introduction section). This report seeks to summarize feedback from the approximately 125 participants and subject matter experts in attendance from academia, industry, U.S. Department of Energy (DOE), and DOE national laboratories. The workshop agenda is included in Appendix A and the full list of attendees can be found in Appendix B. To elucidate a path forward, we first asked the attendees to define what success would look like for reactive capture in the short term (0–5 years), midterm (5–10 years), and long term (10+ years) and then asked them to answer four questions related to how we could achieve that success: (1) What are the key barriers and challenges to success? (2) What are needed activities to overcome barriers and challenges? (3) What opportunities will arise from these activities? (4) What is a target outcome and what metrics need to be met?

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The BREKTRIA 500 – A Breakthrough in Technology and Power Density for an Advanced 500kW Utility-Scale String Inverter (Final Technical Report)

The primary goal of this development project, planned to be 36 months in duration, was to create a 500kW utility-scale string inverter, demonstrating an advanced hybrid architecture that would achieve unprecedented high power density, and bring the inverter to the stage of production readiness. Specific key objectives for the 500kW utility-scale string inverter were: Create a 500kW 3-phase 600Vac inverter that was similar in overall size to the existing 250kW string inverters in the market, thereby demonstrating dramatically increased power density; Achieve a cost of goods, including all manufacturing-related costs and overheads, at or below 2.5¢/Wac ($12,500); Demonstrate full-power operation at a 45-50C ambient temperature with no power de-rating; Accommodate a PV array DC input of up to 1MWdc, aka a DC/AC Ratio of 2.0; Demonstrate peak efficiency greater than 99% at any operating dc voltage, and a CEC weighted average efficiency greater than or equal to 98.5%. The motivation for this project was to leapfrog the competition by creating the world’s most powerful string inverter, utilizing an innovative topology and achieving a step change increase in power density. Achieving the goals of the project would have enabled Yaskawa Solectria Solar to demonstrate its technology leadership, manufacture the utility-scale string inverter in the company’s facilities in Illinois, and bring to the market a highly-differentiated and compelling product to help the company grow its share in the large and growing utility market segment. During the course of this project, BREK Electronics’ hybrid architecture inverter was taken from an early-stage 125kW prototype, to a more mature and successfully demonstrated power stage at twice the power. Two 250kW power stages were planned to build the 500kW inverter. Significant progress was made in the inverter controls, achieving a clean AC sinewave and closed-loop operation into the grid, and improved efficiency by control of the high-speed switching. Further, the updated 250kW power stage was on track to achieve full power operation at an ambient temperature of 50C. At the time of the project’s closure in September 2022, global semiconductor supply remained limited, with shortages creating dramatic swings in both availability and price. Given this situation, our ability to predict cost-of-goods two years out with any accuracy or confidence was limited. As a result, the probability of attaining the target cost of 2.5¢/Wac for the 500kW inverter remained uncertain at the closure of the project. This project successfully demonstrated the potential for the advanced hybrid architecture inverter that emerged from a decade of university research on Si IGBTs and SiC mosfets, leading to this unique inverter topology. The team has taken the first steps toward an evolutionary advancement in inverter technology that remains to be fully realized.

14 SOLAR ENERGY↗

Shadow Lagrangian dynamics for superfluidity

Motivated by a similar approach for Born-Oppenheimer molecular dynamics, this paper proposes an extended "shadow" Lagrangian density for quantum states of superfluids. The extended Lagrangian contains an additional field variable that is forced to follow the wave function of the quantum state through a rapidly oscillating extended harmonic oscillator. By considering the adiabatic limit for large frequencies of the harmonic oscillator, we can derive the two equations of motions, a Schrödinger-type equation for the quantum state and a wave equation for the extended field variable. The equations are coupled in a nonlinear way, but each equation individually is linear with respect to the variable that it defines. The computational advantage of this new system is that it can be easily discretized using linear time stepping methods, where we propose to use a Crank-Nicolson-type approach for the Schrödinger equation and an extended leapfrog scheme for the wave equation. Furthermore, the difference between the quantum state and the extended field variable defines a consistency error that should go to zero if the frequency tends to infinity. By coupling the time-step size in our discretization to the frequency of the harmonic oscillator we can extract an easily computable consistency error indicator that can be used to estimate the numerical error without additional costs. The findings are illustrated in numerical experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗