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At least 1,117 records · Page 62

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

Coal-based bricks and blocks (CBBs) were formulated using anthracite and thermoplastic binder. Lab scale test composites were formed by hot-press molding and commercial extrusion for test articles and for a full-scale prototype. Formulations and test matrices followed a systematic experimental design to examine the effects of and interactions among three primary independent variables: a) thermoplastic type, b) weight fractions of binder relative to the total anthracite weight, and c) relative proportions of large versus small (milled) anthracite size fractions. Technical performance metrics include compressive strength, modulus, porosity/permeability and density. These DoE studies establish composition-property relations and identify the best combination for any desired property of interest – in particular, strength. Based on CBB composition and fabrication process, validated against technical performance metrics, a techno-economic analysis was constructed which incorporated a process flow model, engineering design (with scaling), and calculated capital plus operating costs. Based on measured property metrics and estimated process economics and a projected price by TEA (techno-economic analysis), building and construction target markets were identified by a market survey assessment. With known cost, price, performance metrics and competitive advantages for CBBs matched with commercial applications/uses, a technical gap analysis was performed to identify further development required for scale-up and commercialization.

01 COAL, LIGNITE, AND PEAT↗

Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation

Classical molecular dynamics simulates the time evolution of molecular systems through the phase space spanned by the positions and velocities of the constituent atoms. Molecular-level thermodynamic, kinetic, and structural data extracted from the resulting trajectories provide valuable information for the understanding, engineering, and design of biological and molecular materials. The cost of simulating many-body atomic systems makes simulations of large molecules prohibitively expensive, and the high-dimensionality of the resulting trajectories presents a challenge for analysis. Driven by advances in algorithms, hardware, and data availability, there has been a flare of interest in recent years in the applications of machine learning – especially deep learning – to molecular simulation. Furthermore, these techniques have demonstrated great power and flexibility in both extracting mechanistic understanding of the important nonlinear collective variables governing the dynamics of a molecular system, and in furnishing good low-dimensional system representations with which to perform enhanced sampling or develop long-timescale dynamical models. It is the purpose of this article to introduce the key machine learning approaches, describe how they are married with statistical mechanical theory into domain-specific tools, and detail applications of these approaches in understanding and accelerating biomolecular simulation.

74 ATOMIC AND MOLECULAR PHYSICS↗

Superstructure Optimization of Waste Plastic Pyrolysis, Integrating Thermal, Catalytic, and Plasma Technologies with Machine Learning

Global plastic waste generation exceeds 430 million tonnes per year, yet fewer than 9% are recycled in the United States. Pyrolysis offers a chemical recycling route at scale, but existing techno-economic and life cycle assessments fix product yields to single pure polymers, producing economic and environmental outputs that break down when the feed composition changes. Here, we present a superstructure optimization framework that addresses this by embedding a composition-aware random forest yield predictor, trained on 566 pyrolysis experiments, within a full-scale process simulation. Product distributions update automatically as feed allocation shifts across four reactor chemistries: conventional thermal, catalytic (HZSM-5), thermal oxo-degradation, and nonequilibrium CO2 plasma. The optimal superstructure achieves minimum selling prices of −0.56 to −0.76/kg feed and global warming potentials of −0.276 to −0.322 kg CO2-eq/kg feed across four commodity price scenarios, confirming profitable, carbon-negative operation without tipping fees. Carbon abatement costs of $\$$0.46 to $\$$1.25/kg CO2-eq are competitive with direct air capture. Sensitivity analysis shows that the catalytic-plasma split fraction is the single largest driver of both economic and climate performance, while hydrocracking allocation in the wax upgrading stage is emission-neutral across the full variable range. Mixed plastic waste streams, evaluated as composition-variable feedstocks rather than pure resins, are profitable and carbon-negative across realistic market conditions. These results give a quantitative basis for reactor selection, circular economy investment, and policy design targeting chemical recycling on a large scale.

Life cycle assessment↗

Subfield crop yields and temporal stability in thousands of US Midwest fields

Understanding subfield crop yields and temporal stability is critical to better manage crops. Several algorithms have proposed to study within-field temporal variability but they were mostly limited to few fields. In this study, a large dataset composed of 5520 yield maps from 768 fields provided by farmers was used to investigate the influence of subfield yield distribution skewness on temporal variability. The data are used to test two intuitive algorithms for mapping stability: one based on standard deviation and the second based on pixel ranking and percentiles. The analysis of yield monitor data indicates that yield distribution is asymmetric, and it tends to be negatively skewed (p < 0.05) for all of the four crops analyzed, meaning that low yielding areas are lower in frequency but cover a larger range of low values. The mean yield difference between the pixels classified as high-and-stable and the pixels classified as low-and-stable was 1.04 Mg ha –1 for maize, 0.39 Mg ha –1 for cotton, 0.34 Mg ha –1 for soybean, and 0.59 Mg ha —1 for wheat. The yield of the unstable zones was similar to the pixels classified as low-and-stable by the standard deviation algorithm, whereas the two-way outlier algorithm did not exhibit this bias. Furthermore, the increase in the number years of yield maps available induced a modest but significant increase in the certainty of stability classifications, and the proportion of unstable pixels increased with the precipitation heterogeneity between the years comprising the yield maps.

59 BASIC BIOLOGICAL SCIENCES↗

Automated Extraction of Energy Systems Information from Remotely Sensed Data: A Review and Analysis

We report high quality energy systems information is a crucial input to energy systems research, modeling, and decision-making. Unfortunately, actionable information about energy systems is often of limited availability, incomplete, or only accessible for a substantial fee or through a non-disclosure agreement. Recently, remotely sensed data (e.g., satellite imagery, aerial photography) have emerged as a potentially rich source of energy systems information. However, the use of these data is frequently challenged by its sheer volume and complexity, precluding manual analysis. Recent breakthroughs in machine learning have enabled automated and rapid extraction of useful information from remotely sensed data, facilitating large-scale acquisition of critical energy system variables. Here we present a systematic review of the literature on this emerging topic, providing an in-depth survey and review of papers published within the past two decades. We first taxonomize the existing literature into ten major areas, spanning the energy value chain. Within each research area, we distill and critically discuss major features that are relevant to energy researchers, including, for example, key challenges regarding the accessibility and reliability of the methods. We then synthesize our findings to identify limitations and trends in the literature as a whole, and discuss opportunities for innovation. These include the opportunity to extend the methods beyond electricity to broader energy systems and wider geographic areas; and the ability to expand the use of these methods in research and decision making as satellite data become cheaper and easier to access. We also find that there are persistent challenges: limited standardization and rigor of performance assessments; limited sharing of code, which would improve replicability; and a limited consideration of the ethics and privacy of data.

97 MATHEMATICS AND COMPUTING↗

Classification and regression models of audio and vibration signals for machine state monitoring in precision machining systems

Here we present a data-driven method for monitoring machine status in manufacturing processes. Audio and vibration data from precision machining are used for inference in two operating scenarios: (a) variable machine health states (anomaly detection); and (b) settings of machine operation (state estimation). Audio and vibration signals are first processed through Fast Fourier Transform and Principal Component Analysis to extract transformed and informative features. These features are then used in the training of classification and regression models for machine state monitoring. Specifically, three classifiers (K-nearest neighbors, convolutional neural networks and support vector machines) and two regressors (support vector regression and neural network regression) were explored, in terms of their accuracy in machine state prediction. It is shown that the audio and vibration signals are sufficiently rich in information about the machine that 100% state classification accuracy could be accomplished. Data fusion was also explored, showing overall superior accuracy of data-driven regression models.

42 ENGINEERING↗

Calibration and field deployment of low-cost sensor network to monitor underground pipeline leakage

Recent technological advances in methane detection have improved leak detection and repair. However, current methods to reliably measure methane concentrations rely on expensive instruments or demand significant labor input. There is interest in using affordable methane sensors that are responsive to ppmv level changes in methane concentrations in both urban and rural environments for monitoring underground natural gas pipeline leaks. This is especially relevant for situations where potentially significant leaks cannot be repaired immediately or smaller leaks that require long-term monitoring and further evaluation. In this work, a low-cost sensor unit, equipped with a metal oxide sensor, was designed, built, and calibrated over a wide range of methane concentrations and environmental conditions in preparation for field application. A network of these sensors was then installed at the test site and used to measure methane concentrations at ground level above known sub-surface natural gas emissions which emulated underground gas pipeline leaks. This low-cost sensor network measured over 4 days total for the two different known leakage rates. Results demonstrate that the sensors can continuously measure relative methane variability for extended periods but require calibration for a wide range of temperature and humidity conditions to properly determine absolute gas (i.e., methane) concentrations. Furthermore, when a regression analysis was conducted to evaluate the effects of meteorological parameters on methane concentration, air temperature and wind speed have strong impacts on the concentration. Overall, the network approach allows improved identification of leak location and monitoring of underground natural gas leaks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Global Life Cycle and Techno-Economic Assessment of Algal-Based Biofuels

Techno-economic analyses (TEAs) and life cycle assessments (LCAs) of algal biofuels often focus on locations in suboptimal latitudes for algal cultivation, which can under-represent the sustainability potential of the technology. This study identifies the optimal global productivity potential, environmental impacts, and economic viability of algal biofuels by using validated biophysical and sustainability modeling. The biophysical model simulates growth rates of Scenedesmus obliquusbased on temperature, photoinhibition, and respiration effects at 6685 global locations. Region-specific labor costs, construction factors, and tax rates allow for spatially resolved TEA, while the LCA includes regional impacts of electricity, hydrogen, and nutrient markets across ten environmental categories. The analysis identifies optimal locations for algal biofuel production in terms of environmental impacts and economic viability which are shown to follow biomass yields. Modeling results highlight the global variability of productivity with maximum yields ranging between 24.8 and 27.5 g m -2 d -1 in equatorial regions. Environmental impact results show favorable locations tracked with low-carbon electricity grids, with the well-to-wheels global warming potential (GWP) ranging from 31 to 45 g CO 2eq MJ -1 in South America and Central Africa. When including direct land use change impacts, the GWP ranged between 44 and 55 g CO 2eq MJ -1 in these high-productivity regions. Low-carbon electricity also favors air quality and eutrophication impacts. The TEA shows that minimum algal fuel prices of $\$1.89$-$\$2.15$ per liter of gasoline-equivalent are possible in southeast Asia and Venezuela. Furthermore, this discussion focuses on the challenges and opportunities to reduce fuel prices and the environmental impacts of algal biofuels in various global regions.

09 BIOMASS FUELS↗

Anthropogenic Aerosols Contribute to the Recent Decline in Precipitation Over the U.S. Southwest

Abstract The winter‐spring precipitation over the Southwestern United States (SWUS) decreased since 1980. It is frequently attributed to Pacific internal decadal variability, but recent studies found anthropogenic aerosols (AA) can also induce a transition to a negative Pacific Decadal Variability (PDV) phase. We revisit the attribution of SWUS drying by quantifying the contributions of anthropogenically forced decadal Pacific Sea Surface Temperatures (SSTs). Applying a low‐frequency component analysis to observations, Community Earth System Model version 2 (CESM2) all‐forcings and single‐forcing large ensembles, we find up to 42% of the observed precipitation trend to be related to the AA‐induced negative PDV‐like pattern, which is driven by the emission shift from the Western to the Eastern Hemisphere. In CESM2, other radiative forcings counteract the influence of AA, but it remains unclear whether the model correctly simulates this balance. This implies that the near‐future trajectories of these forcings, in particular Asian aerosols, are important for projections of SWUS precipitation.

Geology↗

Aerosol Influences on Cloud Water: Insights From ARM EPCAPE Observations With Explainable Machine Learning

This study employs an explainable machine learning (ML) framework (XGBoost-SHapley Additive exPlanations analysis) to investigate controlling factors on cloud liquid water path (LWP) using EPCAPE observations near the California coast. Aerosols are found to be the dominant factor explaining LWP variability, surpassing meteorological factors (MFs). By isolating aerosol effects from meteorological influences, the ML reveals a negative linear relationship between LWP and cloud droplet number concentration (Nd) in log space, likely driven by entrainment drying via evaporation-entrainment feedback. This aligns with the negative regime of the inverted-V relationship reported in previous studies, while no positive LWP responses are found due to a limited number of precipitating cases in EPCAPE. Furthermore, the sensitivity of LWP to Nd shows a non-linear dependence on MFs like moisture contrast between surface and free troposphere and lower-tropospheric stability. This occurs due to the interplay between the MFs' direct effects on entrainment drying and indirect effects through LWP adjustments.

EPCAPE observations↗

Buffering the impacts of extreme climate variability in the highly engineered Tigris Euphrates river system

More extreme and prolonged floods and droughts, commonly attributed to global warming, are affecting the livelihood of major sectors of the world’s population in many basins worldwide. While these events could introduce devastating socioeconomic impacts, highly engineered systems are better prepared for modulating these extreme climatic variabilities. Herein, we provide methodologies to assess the effectiveness of reservoirs in managing extreme floods and droughts and modulating their impacts in data-scarce river basins. Our analysis of multiple satellite missions and global land surface models over the Tigris-Euphrates Watershed (TEW; 30 dams; storage capacity: 250 km 3 ), showed a prolonged (2007–2018) and intense drought (Average Annual Precipitation [AAP]: < 400 km 3 ) with no parallels in the past 100 years (AAP during 1920–2020: 538 km 3 ) followed by 1-in-100-year extensive precipitation event (726 km 3 ) and an impressive recovery (113 ± 11 km 3 ) in 2019 amounting to 50% of losses endured during drought years. Dam reservoirs captured water equivalent to 40% of those losses in that year. Additional studies are required to investigate whether similar highly engineered watersheds with multi-year, high storage capacity can potentially modulate the impact of projected global warming-related increases in the frequency and intensity of extreme rainfall and drought events in the twenty-first century.

54 ENVIRONMENTAL SCIENCES↗

Analysis of single-mode Richtmyer–Meshkov instability using high-order incompressible vorticity-streamfunction and shock-capturing simulations

In this study, two- and three-dimensional simulation results obtained using a new high-order incompressible, variable-density vorticity–streamfunction (VS) method and data from previous ninth-order weighted essentially nonoscillatory (WENO) shock-capturing simulations are used to investigate the nonlinear dynamics of single-mode Richtmyer–Meshkov instability using a model of a Mach 1.3 air(acetone)/SF6 shock tube experiment. A comparison of the density fields from both simulations with the experimental images demonstrates very good agreement in the large-scale structure with both methods but differences in the small-scale structure. The WENO method captures the small-scale disordered structure observed in the experiment, while the VS method partially captures such structure and yields a strong rotating core. The perturbation amplitude growth from the simulations generally agrees well with the experiment. The simulation bubble and spike amplitudes agree well at early times. At later times, the WENO bubble amplitude is smaller than the VS amplitude and vice versa for the spike amplitude. The predictions of nonlinear single-mode instability growth models are shown to agree with the simulation amplitudes at early-to-intermediate times but underpredict the amplitudes at later times in the nonlinear regime. Visualizations of the mass fraction and enstrophy isosurfaces, velocity and vorticity fields, and baroclinic vorticity production and vortex stretching terms from the three-dimensional simulations indicate that, with the exception of the small-scale structure within the rollups, the VS and WENO results are in good agreement.

42 ENGINEERING↗

Investigation of magnetic fluctuations in L-H and H-L transition dynamics on DIII-D

The dynamics of the L-H transition is not fully understood, with many parameters changing the threshold power to enter H-mode and the self-regulation between zonal flows and turbulence in the plasma edge. This paper is primarily a presentation of experimental results for DIII-D L-H and H-L transitions and speculation on the observations made. Power threshold analysis and measurements of pedestal temperatures for these transitions are presented. A comparison is made between an L-H transition and H-L transition of comparable Psep exhibiting oscillatory behaviour, showing symmetry between forward and backward transition dynamics. This paper shows the first observations of magnetic fluctuations during L-H and H-L transitions on DIII-D, and shows that L-H and H-L transitions have similar magnetic fluctuation dynamics. Information geometry analysis has been performed on measurements of plasma density fluctuations, perpendicular plasma velocity fluctuations, and magnetic field fluctuations to investigate the self-regulation and evolution of these variables during the transitions. Perpendicular flow evolution is shown to dominate the transition dynamics in both directions, but self-regulation behaviour is observed between all three variables. A strong correlation between magnetic fluctuation information rate and density fluctuation information rate for these two shots shows the strong influence of magnetic behaviour on both the L-H and H-L transition, and that these transition dynamics necessarily include electromagnetic effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Downscaled CMIP5 projections of physical fire risk understate historical trends

Reliable projections of wildfire risk are important for multi-sector impacts analysis. Statistically downscaled and bias-corrected Earth system model ensemble products are routinely used to analyze regional physical wildfire risk, but evaluations of historical observed trends and variability are lacking. Here, we evaluate physical fire risk over the western United States using the Canadian Forest Fire Weather Index (FWI) by comparing model outputs from the Coupled Model Intercomparison Project Phase 5 (CMIP5), statistically downscaled via the Multivariate Adaptive Constructed Analogs (MACA) approach, against the observational target dataset gridMET, a gridded high-resolution surface meteorological product. We analyze multidecadal trends and interannual variability in seasonal average FWI for the historical period and future projections under two emissions scenarios, and we compare MACA-CMIP5 ensemble results with a simple time series model that generates historical and future projections of seasonal FWI based on bootstrapping observed historical trends and variability. Our findings indicate that MACA-CMIP5 accurately captures the magnitude and spatial patterns of seasonally averaged FWI but tends to underestimate historical decadal trends. We show that future increases in fire risk may be underestimated relative to the simple time series model that projects historical variability into the future. We also highlight that model biases in relative humidity contribute significantly to model-data differences. Our results underscore the importance of historical hindcasting exercises for informing broader multi-sector applications.

FWI↗

State-of-the-Art Reactor Consequence Analysis Project: Sensitivity Analysis Using Dakota

The State-of-the-Art Reactor Consequence Analyses (SOARCA) project has focused on best estimate analyses and uncertainty analysis for postulated accidents at specific nuclear power plants. The consequences of these accidents are estimated using the simulation tools MELCOR and MACCS. To understand which uncertain input variables are important to determining these consequences, analysts have performed sensitivity analyses. The tool used to perform these sensitivity analyses in previous SOARCA work, CompModSA, is no longer supported. Therefore, the current work focuses on migrating these analyses to another tool and evaluating its performance. Dakota, which is a tool developed at Sandia National Laboratories, is used in this work. Sensitivity results are created for three analyses from the SOARCA Surry UA. Though CompModSA and Dakota vary slightly in their algorithms and implementation, their sensitivity results generally agree, which gives confidence in the Dakota approach and increases confidence in the original analyses. It is likely that this methodology is extendable to the rest of SOARCA analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Novel Geometric Operations for Linear Programming

This report summarizes the work performed under the project "Linear Programming in Strongly Polynomial Time." Linear programming (LP) is a classic combinatorial optimization problem heavily used directly and as an enabling subroutine in integer programming (IP). Specifically IP is the same as LP except that some solution variables must take integer values (e.g. to represent yes/no decisions). Together LP and IP have many applications in resource allocation including general logistics, and infrastructure design and vulnerability analysis. The project was motivated by the PI's recent success developing methods to efficiently sample Voronoi vertices (essentially finding nearest neighbors in high-dimensional point sets) in arbitrary dimension. His method seems applicable to exploring the high-dimensional convex feasible space of an LP problem. Although the project did not provably find a strongly-polynomial algorithm, it explored multiple algorithm classes. The new medial simplex algorithms may still lead to solvers with improved provable complexity. We describe medial simplex algorithms and some relevant structural/complexity results. We also designed a novel parallel LP algorithm based on our geometric insights and implemented it in the Spoke-LP code. A major part of the computational step is many independent vector dot products. Our parallel algorithm distributes the problem constraints across processors. Current commercial and high-quality free LP solvers require all problem details to fit onto a single processor or multicore. Our new algorithm might enable the solution of problems too large for any current LP solvers. We describe our new algorithm, give preliminary proof-of-concept experiments, and describe a new generator for arbitrarily large LP instances.

97 MATHEMATICS AND COMPUTING↗

Tracking the Sun: Pricing and Design Trends for Distributed Photovoltaic Systems in the United States (2021 Edition) [Slides]

Berkeley Lab’s annual Tracking the Sun report describes trends among grid-connected, distributed solar photovoltaic (PV) systems in the United States. The latest edition of the report focuses on systems installed through year-end 2020, and is based on data from roughly 2.2 million systems, covering 79% of all distributed PV systems installed nationally through 2020. The report describes trends related to project characteristics, including system size, module efficiencies, prevalence of paired PV with storage, use of module-level power electronics, third-party ownership, mounting configurations, panel orientation, and non-residential customer segmentation ownership. Median installed-price trends, including both long-term and more recent temporal trends at the national and state levels, with comparisons to other recent PV cost and pricing benchmarks as well as to prices reported for other countries. Variability in pricing across individual projects based on system size, state, installer, module efficiency, inverter technology, and non-residential customer type. The report also includes an econometric analysis to estimate the effects of individual drivers on installed prices for host-owned residential systems installed in 2020.

14 SOLAR ENERGY↗

Study of Storage Requirements and Costs for Shaping Renewables and Nuclear Energy (FY23 Summary Report)

To decarbonize electricity generation primarily by using wind and solar resources, it is likely that additional low (or zero) carbon dioxide (CO 2 ) alternatives will be required for ensuring a reliable electricity supply. This study extends the work and modeling framework that we consolidated in FY 2022, by assessing the zero-CO 2 pathways of a Texas power system in which the availability of variable renewable energy (VRE), nuclear energy, and energy storage types (i.e., battery and thermal energy storage [TES]) are considered the sole resources available for expansion. Using the Risk Analysis Virtual Environment (RAVEN) and Holistic Energy Resource Optimization Network (HERON) frameworks, this study investigates the market of two nuclear energy technologies (i.e., large light-water reactors [LWRs] and LWR-type small modular reactors [SMRs]) under two plausible storage coupling scenarios (i.e., electric coupling and direct thermal coupling). We also explore optimal environments for nuclear energy deployment, and identify key performance characteristics that make nuclear energy economically viable in areas with significant intermittent energy sources. Our analysis encompasses 24 cases. We model the least-cost grid systems, highlight the potential for a coupled LWR-TES approach, and utilize SMRs to achieve deep decarbonization in an affordable, technically feasible manner. We also examine seasonal variations in balancing electricity supply and demand, and account for varying performance, costs, and grid constraints. Overall, the findings of our modeling afford valuable insights for supporting future technology investment decisions in the energy sector.

25 ENERGY STORAGE↗