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At least 109 records · Page 6

Randomized Preconditioned Solvers for Strong Constraint 4D-Var Data Assimilation

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle using the Gauss-Newton method. The computation of the descent direction is expensive since it involves the solution of a large-scale and potentially ill-conditioned linear system, solved using the preconditioned conjugate gradient (PCG) method. Here, to address this cost, we efficiently construct scalable preconditioners using three different randomization techniques, which all rely on a certain low-rank structure involving the Gauss-Newton Hessian. The proposed techniques come with theoretical guarantees on the condition number, and at the same time, are amenable to parallelization. We also develop an adaptive approach to estimate the sketch size and choose between the reuse or recomputation of the preconditioner. We demonstrate the performance and effectiveness of our methodology on two representative model problems—the Burgers and barotropic vorticity equation—showing a drastic reduction in both the number of PCG iterations and the number of Gauss-Newton Hessian products after including the preconditioner construction cost.

Gauss-Newton↗

An Integrated Flame Spray Process for Low Cost Production of Battery Materials for Lithium Ion Batteries and Beyond

The overall objective of this project was to develop an advanced manufacturing technology for Li-ion battery materials production at low cost and in a green chemical process using glycerol as solvent to replace water. It was aimed at developing a prototype pilot production line to reduce production cost by at least 25% to the baseline. During the course of this project, research was conducted to understand spray drying and combustion of eutectic solvent precursors of glycerol and metal salts (acetates) in the formation of mixed metal oxide powders. Reactor design and optimization were done to facilitate spray drying and combustion in powder formation and processing. Various cathode materials powders were produced, including lithium nickel-cobalt-manganese oxide (NCM) and lithium nickel-cobalt-aluminum oxide (NCA). These cathode materials powders were tested in half coin cells for their performances, with materials performances of 160 mAh/g for NCM111 and 200 mAh/g for NCA. NCA powders were also produced using a slurry spray-drying process and tested in full pouch cells. A pilot scale flame assisted spray drying reactor was constructed and demonstrated for its production rate exceeding the target of production rate of four metric tons per year. The work performed in this project has been documented in 9 peer reviewed journal publications, 8 conference presentations, and two IP disclosures/patent applications.

25 ENERGY STORAGE↗

Air Emissions Impacts of Fuel Substitution in the United States Cement Industry

High-heat industrial processes cannot be easily electrified, often rely on comparatively high-emitting solid fuels, and are essential for economic growth. Cement production in particular is critical to supporting construction and the expansion and maintenance of infrastructure systems in countries around the world. Fuels for cement production include petcoke, coal, and waste solvents, and their combustion contributes approximately 40% of the CO 2 emissions from global cement production. Broadening the fuel resources to include agricultural residues and other wastes can reduce emissions and divert waste from landfills. We assess the potential to use 16 different alternative fuels across the 88 integrated cement plants in the United States. The share of alternative fuels in the cement production sector could increase from the current level of 17% to as high as 73%. Fuel substitution can reduce the current fuel-related life-cycle emissions (28.6 ± 5.7 Mton CO 2 /year) by 19–45%. The greatest national-scale human health cobenefits occur when alternative fuels are prioritized at facilities currently using coal and petcoke. NO x emissions outcomes from this strategy are mixed, but SO x and particulate matter emissions reductions drive net human health benefits. These results suggest that targeted fuel substitution in heavy industries can yield outsized emissions benefits.

alternative fuels↗

The Potential and Cost of Carbon Dioxide Removal Using Direct Air Capture with Land-Based Wind and Utility-Scale Photovoltaics

The rapid deployment of direct air capture and storage (DACS) is critical for achieving emission targets, necessitating precise evaluation of the scale and cost of carbon dioxide removal. This study examines the availability of land, electricity generation, and geologic CO 2 storage within the United States, estimating a technical potential for low-temperature, adsorbent-based DACS to remove approximately 9 gigatonnes of CO 2 annually. By 2050, a substantial portion of this removal could be achieved at net-removed costs below $\$$300/tonneCO 2 , though costs are highly variable depending on factors such as facility scale, construction expenses, climate-dependent productivity and heating efficiency, and geologic storage conditions. In the short term, DACS deployment will help identify key research priorities for advancing technology and reducing removal costs. Concurrently, there is an urgent need for scientifically robust and standardized frameworks for monitoring, reporting, and verifying DACS performance across both established and emerging technologies and energy sources.

Carbon capture↗

GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions

GronOR is a program package for nonorthogonal configuration interaction calculations. Electronic wave functions are constructed in terms of antisymmetrized products of multiconfiguration molecular fragment wave functions. The computational complexity of the nonorthogonal methodologies implemented in GronOR applied to large molecular assemblies requires a design that takes full advantage of massively parallel supercomputer architectures and accelerator technologies. This work describes the implementation strategy and resulting performance characteristics. In addition to parallelization and acceleration, the software development strategy includes aspects of fault resiliency and heterogeneous computing. The program was designed for large-scale supercomputers but also runs effectively on small clusters and workstations for small molecular systems. GronOR is available as open source to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fractional Statistics

The quantum-mechanical description of assemblies of particles whose motion is confined to two (or one) spatial dimensions offers many possibilities that are distinct from bosons and fermions. We call such particles anyons. The simplest anyons are parameterized by an angular phase parameter θ. θ = 0, π correspond to bosons and fermions, respectively; at intermediate values, we say that we have fractional statistics. In two dimensions, θ describes the phase acquired by the wave function as two anyons wind around one another counterclockwise. It generates a shift in the allowed values for the relative angular momentum. Composites of localized electric charge and magnetic flux associated with an abelian U(1) gauge group realize this behavior. More complex charge-flux constructions can involve nonabelian and product groups acting on a spectrum of allowed charges and fluxes, giving rise to nonabelian and mutual statistics. Interchanges of nonabelian anyons implement unitary transformations of the wave function within an emergent space of internal states. Anyons of all kinds are described by quantum field theories that include Chern–Simons terms. The crossings of one-dimensional anyons on a ring are unidirectional, such that a fractional phase θ acquired upon interchange gives rise to fractional shifts in the relative momenta between the anyons. The quasiparticle excitations of fractional quantum Hall states have long been predicted to include anyons. Recently, the anyon behavior predicted for quasiparticles in the ν = 1/3 fractional quantum Hall state has been observed in both scattering and interferometric experiments. Excitations within designed systems, notably including superconducting circuits, can exhibit anyon behavior. Such systems are being developed for possible use in quantum information processing.

Physics↗

RRNPP-type quorum-sensing systems regulate solvent formation, sporulation and cell motility in Clostridium saccharoperbutylacetonicum

Abstract Background Clostridium saccharoperbutylacetonicum N1-4 (HMT) is a strictly anaerobic, spore-forming Gram-positive bacterium capable of hyper-butanol production through the well-known acetone–butanol–ethanol fermentation process. Recently, five putative RRNPP-type QSSs (here designated as QSS1 to QSS5) were predicted in this bacterial strain, each of which comprises a putative RRNPP-type regulator (QssR1 to QssR5) and a cognate signaling peptide precursor (QssP1 to QssP5). In addition, both proteins are encoded by the same operon. The functions of these multiple RRNPP-type QSSs are unknown. Results To elucidate the function of multiple RRNPP-type QSSs as related to cell metabolism and solvent production in N1-4 (HMT), we constructed qssR -deficient mutants ΔR1, ΔR2, ΔR3 and ΔR5 through gene deletion using CRISPR–Cas9 and N1-4-dcas9-R4 (with the QssR4 expression suppressed using CRISPR–dCas9). We also constructed complementation strains by overexpressing the corresponding regulator gene. Based on systematic characterization, results indicate that QSS1, QSS2, QSS3, and QSS5 positively regulate the sol operon expression and thus solvent production, but they likely negatively regulate cell motility. Consequently, QSS4 might not directly regulate solvent production, but positively affect cell migration. In addition, QSS3 and QSS5 appear to positively regulate sporulation efficiency. Conclusions Our study provides the first insights into the roles of multiple RRNPP-type QSSs of C. saccharoperbutylacetonicum for the regulation of solvent production, cell motility, and sporulation. Results of this study expand our knowledge of how multiple paralogous QSSs are involved in the regulation of essential bacterial metabolism pathways.

09 BIOMASS FUELS↗

Performance loss rate comparison between satellite and ground-based sensors for normalization

Understanding and quantifying the performance loss rate (PLR) of PV plants is crucial for predicting energy production, improving future designs and construction practices and optimizing maintenance activities. One difficulty in PLR analysis is ensuring irradiance sensor accuracy, since unaccounted for sensor drift can cause a perceived shift in performance similar in magnitude to typical PLR values. This study compares the calculated PLR values for a set of 24 large-scale plants (calculated for each of the 1132 inverters) using ground-based, satellite-based, and clear sky irradiance to examine the impact.

14 SOLAR ENERGY↗

Spectrally Stabilized Interface Capturing Formulation and Implementation in Nek5000/NekRS

This report documents the formulation of a novel level-set method for incompressible two-phase flows in the continuous Galerkin (CG) high order spectral element framework. The overall method hinges on a novel implementation of the spectral vanishing viscosity (SVV) operator for the stabilization of linear/non-linear hyperbolic problems. The multidimensional SVV convolution kernels, which in essence, have a similar effect as a high pass filter applied to the derivatives, are formulated by exploiting the tensor product form, analogous to the construction of the usual stiffness matrix system. The resulting kernels are directionally decoupled and ensure a linear, symmetric positive definite, elliptic matrix operator. The SVV formulation is demonstrated to provide a robust stabilizing mechanism through challenging linear and non-linear hyperbolic problems, including problems pertinent to the level-set formulation. The two-phase framework conceptualized herein is based on the conservative level-set (CLS) method which represents the interface between the fluids by the 0.5 iso-contour of the smoothed Heaviside function. The CLS method is augmented with a preconditioning procedure for interface normals using the signed distance function which precludes the manifestation of spurious oscillations in the vicinty of the interface. Further, the existing mixed explicit-implicit approach for the solution of Navier-Stokes equations in Nek5000, as described in Tomboulides et al, is augmented with a pressure coefficient splitting approach for the Poisson equation, which greatly accelerated the convergence of pressure solver for two-phase systems with large density ratio. The robustness and accuracy of the overall two-phase method is demonstrated through canonical challenging problems involving high density and viscosity ratios, with and without surface tension. The two-phase formulation is wholly implemented in Nek5000 and the SVV stabilization method is implemented in NekRS, which is the essential precursor to the two-phase framework, undergoing active development.

97 MATHEMATICS AND COMPUTING↗

Fifty ways to build a deuteron: a variational calculation of two-nucleon systems

A variational study of two-nucleon systems with lattice quantum chromodynamics is performed using a wide range of interpolating operators: dibaryon operators built from products of momentum-projected nucleons, hexaquark operators built from six spatially localized quarks, and quasi-local operators inspired by two-nucleon bound-state wavefunctions in nuclear effective field theories. Correlation-function matrices involving products of these operators are constructed by computing timeslice-to-all quark propagators with sparsening techniques. Comparisons between results obtained using the same gauge-field ensemble but different interpolating-operator sets demonstrate that interpolating-operator dependence can lead to significant effects on the two-nucleon energy spectra obtained using both variational and non-variational methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Status of the LCLS-II-HE Project at Jefferson Lab

The Linac Coherent Light Source II High Energy (LCLS-II-HE) upgrade at the SLAC National Accelerator Laboratory is being constructed in partnership with the Thomas Jefferson National Accelerator Facility (JLab) and the Fermi National Accelerator Laboratory (FNAL). The cryomodule production scope consists of the design, procurement, construction, and acceptance testing of 24 eight-cavity, 1.3 GHz cryomodules, as well as R&D activities necessary to develop the required technology. To achieve this, JLab and FNAL are also contributing to SLAC’s effort to develop the cavity recipe and production processes necessary to meet the LCLS-II-HE goal of 20.8 MV/m and average Q₀ of 2.7·10¹⁰. This paper details the JLab scope, focusing on the project initiation phase, in particular technology development and prototyping, project development and planning, and implementation of lessons learned from LCLS-II.

Wilson, K. M.↗

Measurements of Higgs boson production cross sections and couplings in the diphoton decay channel at $ \sqrt{\mathrm{s}} $ = 13 TeV

Measurements of Higgs boson production cross sections and couplings in events where the Higgs boson decays into a pair of photons are reported. Events are selected from a sample of proton-proton collisions at s√ = 13 TeV collected by the CMS detector at the LHC from 2016 to 2018, corresponding to an integrated luminosity of 137 fb -1 . Analysis categories enriched in Higgs boson events produced via gluon fusion, vector boson fusion, vector boson associated production, and production associated with top quarks are constructed. The total Higgs boson signal strength, relative to the standard model (SM) prediction, is measured to be 1.12±0.09. Other properties of the Higgs boson are measured, including SM signal strength modifiers, production cross sections, and its couplings to other particles. These include the most precise measurements of gluon fusion and vector boson fusion Higgs boson production in several different kinematic regions, the first measurement of Higgs boson production in association with a top quark pair in five regions of the Higgs boson transverse momentum, and an upper limit on the rate of Higgs boson production in association with a single top quark. All results are found to be in agreement with the SM expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Na + -gated water-conducting nanochannels for boosting CO 2 conversion to liquid fuels

Robust, gas-impeding water-conduction nanochannels that can sieve water from small gas molecules such as hydrogen (H 2 ), particularly at high temperature and pressure, are desirable for boosting many important reactions severely restricted by water (the major by-product) both thermodynamically and kinetically. Identifying and constructing such nanochannels into large-area separation membranes without introducing extra defects is challenging. We found that sodium ion (Na + )–gated water-conduction nanochannels could be created by assembling NaA zeolite crystals into a continuous, defect-free separation membrane through a rationally designed method. Highly efficient in situ water removal through water-conduction nanochannels led to a substantial increase in carbon dioxide (CO 2 ) conversion and methanol yield in CO 2 hydrogenation for methanol production.

Science & Technology - Other Topics↗

A Simple Panel System to Overcome Interface Challenges for Retrofits: Preprint

Retrofitting buildings is usually an expensive and labor-intensive process. Weatherization measures can improve comfort and energy affordability to some extent, but deep energy retrofits are needed to optimize performance and comfort, and to achieve significant energy cost savings. Barriers to deep energy retrofits include a limited supply of skilled labor, different building types, planning complexity, split incentives, and a long or non-existent ROI horizon. The "Simple Panel System" (SPS) workflow developed and demonstrated in this effort streamlines deep energy retrofits by applying advanced site capture, machine learning, and mixed reality to panelized construction. The result is a one-stop, product-independent solution for rapidly scalable retrofits with the potential to reduce construction time and project costs by 50%. Soft costs are reduced by more than 66%, total costs by more than 50%, and field construction time by more than 50% - not to mention the reduction in construction waste, improvement in working conditions, and the ability to scale without an influx of skilled labor. This paper presents the SPS and the preliminary results and findings from the pilot project.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Introduction of NADH-dependent nitrate assimilation in Synechococcus sp. PCC 7002 improves photosynthetic production of 2-methyl-1-butanol and isobutanol

Cyanobacteria hold promise for renewable chemical production due to their photosynthetic nature, but engineered strains frequently display poor production characteristics. These difficulties likely arise in part due to the distinctive photoautotrophic metabolism of cyanobacteria. Here, in this work, we apply a genome-scale metabolic model of the cyanobacteria Synechococus sp. PCC 7002 to identify strain designs accounting for this unique metabolism that are predicted to improve the production of various biofuel alcohols (e.g. 2-methyl-1-butanol, isobutanol, and 1-butanol) synthesized via an engineered biosynthesis pathway. Using the model, we identify that the introduction of a large, non-native NADH-demand into PCC 7002's metabolic network is predicted to enhance production of these alcohols by promoting NADH-generating reactions upstream of the production pathways. To test this, we construct strains of PCC 7002 that utilize a heterologous, NADH-dependent nitrite reductase in place of the native, ferredoxin-dependent enzyme to create an NADH-demand in the cells when grown on nitrate-containing media. We find that photosynthetic production of both isobutanol and 2-methyl-1-butanol is significantly improved in the engineered strain background relative to that in a wild-type background. We additionally identify that the use of high-nutrient media leads to a substantial prolongment of the production curve in our alcohol production strains. The metabolic engineering strategy identified and tested in this work presents a novel approach to engineer cyanobacterial production strains that takes advantage of a unique aspect of their metabolism and serves as a basis on which to further develop strains with improved production of these alcohols and related products.

2-methyl-1-butanol↗

Tracking Volumetric Units in Modular Factories for Automated Progress Monitoring Using Computer Vision

The construction industry is increasingly adopting off-site and prefabricated methods due to advantages offered in safety, quality, and lead time. Applying industrialized methods for plant management in offsite construction factories requires the collection of large volumes of production process data, which is a tedious task when performed manually. Recent attempts to automate this process have relied on sensor-based data collection methods which are susceptible to noise, expensive, and difficult to validate. Computer vision methods, however, enable process data collection from videos without the limitations of the other sensor-based methods. This technology has not been applied for offsite construction except in very few instances and therefore, this study proposes a novel method to reliably collect the production process data using computer vision method in near real-time from widely used surveillance cameras in offsite construction. The proposed method allows the user to annotate the workstations of interest on the video as ground truths and process these areas throughout the entire video to track the units entering and leaving stations, while continuously updating a near real-time schedule of the production line. This framework was validated by implementing on the surveillance videos of the production process of modular home manufacturing in a factory. The results consistently provided 100% accuracy, after denoising, for all the videos processed including 60 h of work for a station. The developed method enables real-time tracking of station performance, which can enable continuous improvement methods for factory management and resource allocation.

computer vision↗

Why are cell populations maintained via multiple compartments?

We consider the maintenance of ‘product’ cell populations from ‘progenitor’ cells via a sequence of one or more cell types, or compartments, where each cell’s fate is chosen stochastically. If there is only one compartment then large amplification, that is, a large ratio of product cells to progenitors comes with disadvantages. The product cell population is dominated by large families (cells descended from the same progenitor) and many generations separate, on average, product cells from progenitors. These disadvantages are avoided using suitably constructed sequences of compartments: the amplification factor of a sequence is the product of the amplification factors of each compartment, while the average number of generations is a sum over contributions from each compartment. Passing through multiple compartments is, in fact, an efficient way to maintain a product cell population from a small flux of progenitors, avoiding excessive clonality and minimizing the number of rounds of division en route. We use division, exit and death rates, estimated from measurements of single-positive thymocytes, to choose illustrative parameter values in the single-compartment case. We also consider a five-compartment model of thymocyte differentiation, from double-negative precursors to single-positive product cells.

59 BASIC BIOLOGICAL SCIENCES↗

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash (Phase II Final Summary Report)

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed technologies and their implementation in a pilot plant. We demonstrated plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products), from coal ash. We also constructed and demonstrated a research-scale (0.5 kg/day) micropilot facility to validate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plants: (1) an operational pilot plant for physical separation processes with capacity of 0.4 metric tons per day (tpd), where we optimized processes to produce selected ash fractions as the feedstock for chemical processing and as valuable byproducts such as cenospheres, magnetic ash, and secondary fuel carbon, and (2) an operational pilot plant for chemical ash processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals (Sc, Al), and (c) beneficiated ash as a valuable byproduct suitable for cement applications. In Phase I, the project team (with Equinox Chemicals in place of WWS) developed and demonstrated the feasibility of the physical and chemical separation processes, developed the design of a pilot plant, and began the development of a preliminary techno-economic model. In the baseline (initial) Phase II program, the project team developed and demonstrated the above pilot scale plant, producing salable REE concentrates, including Y and Sc (REYSc), plus commercially viable byproducts, using environmentally safe and high-yield physical and chemical enrichment processes. The team successfully demonstrated chemical pilot design, construction, shakedown, and operations of the plant. We produced the Phase II deliverable REYSc concentrate ((50 g of >60 wt.% purity REYSc salts on elemental basis), generated the feed for the Phase II follow-on program, identified processing challenges for future optimizations, and refined the techno-economic model. In the Phase II follow-on program, the project team: (1) developed and demonstrated processes to increase the REE amount by 3X (content basis) and convert the Phase II REE salt mixture to an oxide mixture, (2) produced/delivered >38 g of REO mixture with >85 wt.% purity (elemental basis); (3) developed processes to recover critical minerals scandium and aluminum from intermediate streams; (4) produced/delivered > 1 g of scandium salt mixture with >85 wt. % purity (elemental basis); (5) produced/delivered > 100 g of aluminum oxide type material with >70% wt. purity (elemental basis); and (6) updated the techno-economic model from the baseline Phase II program to assess CAPEX and OPEX of a commercial operation. This program has developed extensive databases on process chemistry, unit operations, plant engineering, and techno-economics that will enable further scale-up toward commercial plant design. Specific future developments will be focused on achieving dramatic savings in energy, reagent usage, and operating costs. The combined results will contribute significantly for maturing the technologies of REE recovery from coal byproducts and promote the establishment of domestic REE and CM supply chains.

01 COAL, LIGNITE, AND PEAT↗