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At least 631 records · Page 35

Considering Strain Variation and Non-Type Strains for Yeast Metabolic Engineering Applications

A variety of yeast species have been considered ideal hosts for metabolic engineering to produce value-added chemicals, including the model organism Saccharomyces cerevisiae, as well as non-conventional yeasts including Yarrowia lipolytica, Kluyveromyces marxianus, and Pichia pastoris. However, the metabolic capacity of these microbes is not simply dictated or implied by genus or species alone. Within the same species, yeast strains can display distinct variations in their phenotypes and metabolism, which affect the performance of introduced pathways and the production of interesting compounds. Moreover, it is unclear how this metabolic potential corresponds to function upon rewiring these organisms. These reports thus point out a new consideration for successful metabolic engineering, specifically: what are the best strains to utilize and how does one achieve effective metabolic engineering? Understanding such questions will accelerate the host selection and optimization process for generating yeast cell factories. In this review, we survey recent advances in studying yeast strain variations and utilizing non-type strains in pathway production and metabolic engineering applications. Additionally, we highlight the importance of employing portable methods for metabolic rewiring to best access this metabolic diversity. Finally, we conclude by highlighting the importance of considering strain diversity in metabolic engineering applications.

59 BASIC BIOLOGICAL SCIENCES↗

A prototype cooling blanket for mitigating occupant overheating risk in a hot indoor environment: Modeling and assessments

Conventional ways of cooling a room or an entire house for occupant thermal comfort during summer consume a significant amount of energy and are vulnerable to overheating risk during power outages that lead to loss of cooling system operations. This study investigates a low-power cooling blanket, as a Personal Cooling System (PCS), that covers the upper human body for direct cooling during a five-day heat wave in a single-family house. A modeling framework is developed for evaluating the thermal and energy performance of the cooling blanket, which builds upon the co-simulation of three models: a house energy model, a personal thermal comfort model, and a cooling blanket model. Simulation results show that under the power outage scenario, the cooling blanket can greatly reduce the occupant heat stress with a reduction of daily hours of exceedance (discomfort hours defined as TSV>2) by up to 17.2 h (a 95.3 % improvement from the baseline power outage without the blanket). The cooling blanket, equipped with an innovative electrocaloric heat pump (COP as high as 10.1) consumes 6.31 W and can be operated by a portable battery for several days. The cooling blanket consumes only 0.28 % of the electricity of a central air-conditioning system running to provide cooling for the whole house during the five-day heatwave period. The findings justify further research of electrocaloric wearable PCS as low-power effective cooling to ensure thermal survivability of occupants during extreme indoor environments.

Electrocaloric heat pump↗

Exascale models of stellar explosions: Quintessential multi-physics simulation

The ExaStar project aims to deliver an efficient, versatile, and portable software ecosystem for multi-physics astrophysics simulations run on exascale machines. The code suite is a component-based multi-physics toolkit, built on the capabilities of current simulation codes (in particular Flash-X and Castro), and based on the massively parallel adaptive mesh refinement framework AMReX. It includes modules for hydrodynamics, advanced radiation transport, thermonuclear kinetics, and nuclear microphysics. The code will reach exascale efficiency by building upon current multi- and many-core packages integrated into an orchestration system that uses a combination of configuration tools, code translators, and a domain-specific asynchronous runtime to manage performance across a range of platform architectures. The target science includes multi-physics simulations of astrophysical explosions (such as supernovae and neutron star mergers) to understand the cosmic origin of the elements and the fundamental physics of matter and neutrinos under extreme conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

A compact and portable gamma-ray spectrometer (GRASP) for inertial confinement fusion and basic science experiments

A compact and portable gamma-ray spectrometer has been designed to diagnose different components of the inertial confinement fusion-relevant γ-ray spectrum with energies between ∼3.7–17.9 MeV. The system is designed to be as compact as possible for convenient transportation and fielding in diagnostic ports on the OMEGA laser, the National Ignition Facility, and other photon-source facilities. The system consists of a conversion foil for Compton scattering in front of four magnetic spectrometer “arms,” each covering a different energy range and constructed out of cylindrical permanent magnet Halbach arrays. Monte Carlo simulations have been used to optimize and assess the performance of the conversion foil, and COSY INFINITY ion-optical simulations have been used to optimize the spectrometer magnets. The performance of the design is assessed for a simulated direct-drive γ-ray spectrum. Spanning its total γ-ray energy bandwidth and using a 1.7 mm thick boron conversion foil, the system’s total energy resolution and efficiency are ∼15.8%–4.5% and 5.4 × 10−7–3.7 × 10−7e−/γ, respectively, with room for improvement. Spectral γ-ray measurements will provide guidance to the inertial confinement fusion program toward achieving high-energy gain relevant to inertial fusion energy and enable new measurement capabilities for basic discovery science.

Instruments & Instrumentation↗

NIF-TAS Miniature Calibration Station

“On Aug. 8, 2021, an experiment at Lawrence Livermore National Laboratory’s (LLNL’s) National Ignition Facility (NIF) made a significant step toward ignition, achieving a yield of more than 1.3 megajoules (MJ). This advancement puts researchers at the threshold of fusion ignition, an important goal of the NIF, and opens access to a new experimental regime.” NIF experiments are conducted by symmetrically focusing 192 laser beams from NIF (three football fields in length) into the Target Chamber (10-meter diameter sphere) onto a target 2mm in size. The reaction produces a hot spot the diameter of a human hair, generating more than 10 quadrillion watts of fusion power for 100 trillionths of a second. These high pressures and temperatures created by the NIF have only been seen on the surface of the sun. To achieve fusion ignition, the target must be compressed to high pressures and temperatures, which requires symmetric compression. This symmetry requires precise alignment of the laser beams to the target. To achieve this precise symmetry a Target Alignment System (TAS) was developed to aid in aligning the beams to the target. The accomplishment on Aug 8 th could not have been accomplished without the TAS. TAS has proven to be a critical contributor to the success of NIF experiments. Each TAS is composed of several Charge Couple Device (CCD) sensors and various support electronics. Unfortunately, these CCDs are no longer available in industry as they have become outdated and obsolete. There is a limited amount of spare CCDs in the facility. As the NIF continues to increase its energy output of its fusion ignition shot experiments (heigh yield shots), more neutrons are being emitted from the Target Chamber. These neutrons are very damaging to the TAS electronics and its sensors, thus degrading and reducing its life expectancy dramatically. The increase of neutrons exceeds the damage threshold of the CCDs. This would increase the demand for more frequent TAS refurbishments and calibrations. The increase in resources to perform these refurbishments and calibrations would not be sustainable. In efforts to prolong the life of each TAS system it was determined that the TAS should be removed for every High Yield Shot and then reinstalled. The high precision fully calibrated TAS can easily be knocked out of alignment during these installs and reinstall exchanges and being transported in and out of the NIF. The Miniature Calibration Station System was developed to verify that the critical calibration parameters have been preserved during every TAS exchange. The Miniature Calibration Station System (Mini-Cal) would need to be a scaled down (in size and scope), portable version of the offline TAS calibration station to verify the critical TAS parameters are still within tolerances.

42 ENGINEERING↗

ChatHPC: Building the Foundations for a Productive and Trustworthy AI-Assisted HPC Ecosystem

ChatHPC democratizes large language models for the high-performance computing (HPC) community by providing the infrastructure, ecosystem, and knowledge needed to apply modern generative AI technologies to rapidly create specific capabilities for critical HPC components while using relatively modest computational resources. Our divide-and-conquer approach focuses on creating a collection of reliable, highly specialized, and optimized AI assistants for HPC based on the cost-effective and fast Code Llama fine-tuning processes and expert supervision. We target major components of the HPC software stack, including programming models, runtimes, I/O, tooling, and math libraries. Thanks to AI, ChatHPC provides a more productive HPC ecosystem by boosting important tasks related to portability, parallelization, optimization, scalability, and instrumentation, among others. With relatively small datasets (on the order of KB), the AI assistants, which are created in a few minutes by using one node with two NVIDIA H100 GPUs and the ChatHPC library, can create new capabilities with Meta’s 7-billion parameter Code Llama base model to produce high-quality software with a level of trustworthiness of up to 90% higher than the 1.8-trillion parameter OpenAI ChatGPT-4o model for critical programming tasks in the HPC software stack.

Young, Aaron [ORNL] (ORCID:0000000254484667)↗

Optimization of Conditions for Photoluminescence-Based Sensing of Critical Minerals: Strategies and Outlook

Economically critical minerals and metals are vital to America’s security, with application areas in energy, advanced technologies, and defense systems. The growing implementation of renewable energy sources such as electric vehicles is expected to significantly increase demand for these minerals, while the global supply is monopolistic, with most of the production occurring in a few countries outside of the US. To mitigate potential supply chain vulnerabilities, the domestic production of economically critical metals has become a bipartisan priority of the US government, and unconventional sources such as coal and its utilization byproducts such as fly ash and acid mine drainage are being actively explored as an alternative method for meeting domestic demand. Slow and expensive characterization methods for critical metals present a significant pain point for domestic production, which has led to the exploration of alternative low-cost, portable platforms capable of detecting target metals during resource prospecting and downstream process monitoring. The National Energy Technology Laboratory has developed a portable fiber optic-based luminescence spectrometer that utilizes a metal-organic framework (MOF) material to detect and distinguish parts-per-billion levels of the visible-emitting rare earth elements terbium, dysprosium, samarium, and europium, which are all economically critical metals. Although preliminary results with this system are promising, a crucial barrier to practical deployment is the ability to operate in low pH, high ionic strength environments, as acidic conditions and the presence of other metal ions can significantly reduce luminescence signal. Here, current strategies related to sample treatment, material design, and sensor configuration are discussed in the context of improving sensor performance in application-relevant conditions. Additionally, future opportunities, such as the optimization of the sensing binding environment through computational methods and specific metals to be removed for treatment will be discussed, presenting a forward-looking view for innovation in luminescent sensing of critical metals.

36 MATERIALS SCIENCE↗

Productive Programming of Distributed Systems with the SHAD C++ Library

High-performance computing (HPC) is often perceived as a matter of making large-scale systems (e.g., clusters) run as fast as possible, regardless the required programming effort. However, the idea of "bringing HPC to the masses" has recently emerged. Inspired by this vision, we have designed SHAD, the Scalable High-performance Algorithms and Data-structures library. SHAD is open source software, written in C++, for C++ developers. Unlike other HPC libraries for distributed systems, which rely on SPMD models, SHAD adopts a shared-memory programming abstraction, to make C++ programmers feel at home. Underneath, SHAD manages tasking and data-movements, moving the computation where data resides and taking advantage of asynchrony to tolerate network latency. At the bottom of his stack, SHAD can interface with multiple runtime systems: this not only improves developer’s productivity, by hiding the complexity of such software and of the underlying hardware, but also greatly enhance code portability. Thanks to its abstraction layers, SHAD can indeed target different systems, ranging from laptops to HPC clusters, without any need for modifying the user-level code. We have prototyped and open-sourced the implementation of (a subset of) the C++ standard library (STL) targeting multi-node HPC clusters. Our work allows plain STL-based C++ code to scale on HPC systems, with no need for rewriting the code to exploit the complex hardware. SHAD is available under Apache v2 License at https://github.com/pnnl/SHAD. In this paper we overview the design of the SHAD library, depicting its main components: runtime systems abstractions for tasking; parallel and distributed data-structures; STL-compliant interfaces and algorithms.

Castellana, Vito G.↗

Design and Development of a Robotic Exoskeleton Device for use in Glove Boxes - 20374

Glovebox operators in nuclear facilities often operate under radioactive environment and typically perform monotonous, dull and repetitive work. This can result in muscle fatigue leading to increased levels of accidents. Current research work aims in assisting the glovebox operators by designing a novel upper limb exoskeleton device to reduce injuries and increase worker efficiency. Almost none of the commercially available hand and upper body exoskeletons are directly suitable for use in gloveboxes. This explains the novelty of the present work in developing a wearable powered robotic exoskeleton device. The device consists of electronics, motors and spring systems mounted on adjustable plates and is supported by a stationary frame behind the worker. The device is intended to be portable and adjustable according to the operator height. The elbow has a flexion movement assisted with motor control by way of a Bowden cable system. The system is floated on a spring and pulley combination that allows for extra safety and smoothness of operation. The end points are fixed near the pivot points to help minimize unwanted movement/torque. The extension movement of the upper and lower arm are assisted by gravity and a counter spring. The shoulder and upper arm movement are held in a neutral position with a spring system for counter balance allowing small movements within the glovebox. This initial concept considers only the vertical movement of the arm. The abduction and adduction movement will not be assisted or impeded by the over shoulder plate or at the forearm plate allowing for full range of motion. Several glovebox aspects such as the level of task assistance, ergonomic design, minimum hindrance in dexterity/operator movements and tear resistance for hazardous safety reasons will be considered in the design of the exoskeleton. Computer models will be simulated to test the load levels and stress conditions on the exoskeleton to enhance the designs. The exoskeleton focusses on major muscular involvement reduction through weight offset and active assistance with minimal parts and hence the device is derived with several joint links and contains both passive and active joints. The paper details the various stages in the design development and prototype testing of the exoskeleton device. Upon successful prototype device development, human testing will be conducted in a replica of the SRS-235F hot cell facility constructed at FIU-ARC. The final stage of the project will be potential testing/deployment of the exoskeleton device in one of the glovebox facilities in Savannah River Nuclear Waste site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of machine learning techniques to optimize the analysis of plutonium surrogate material via a portable LIBS device

The utilization of machine learning techniques has become commonplace in the analysis of optical emission spectra. These methods are often limited to variants of principal components analysis (PCA), partial-least squares (PLS), and artificial neural networks (ANNs). A plethora of other techniques exist and are well established in the world of data science, yet are seldom investigated for their use in spectroscopic problems. In this study, machine learning techniques were used to analyze optical emission spectra of laser-induced plasma from ceria pellets doped with silicon in order to predict silicon content. Additionally, a boosted regression ensemble model was created, and its predictive accuracy was compared to that of traditional PCA, PLS, and ANN regression models. Boosted regression tree ensembles yielded fits with R-squared (R2) values as high as 0.964 and mean-squared errors of prediction (MSEPs) as low as 0.074, providing the most accurate predictive model. Neural networks performed with slightly lower R2 values and higher MSEPs compared to the ensemble methods, thus indicating susceptibility to overfitting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient DNA sequence compression with neural networks

Abstract Background The increasing production of genomic data has led to an intensified need for models that can cope efficiently with the lossless compression of DNA sequences. Important applications include long-term storage and compression-based data analysis. In the literature, only a few recent articles propose the use of neural networks for DNA sequence compression. However, they fall short when compared with specific DNA compression tools, such as GeCo2. This limitation is due to the absence of models specifically designed for DNA sequences. In this work, we combine the power of neural networks with specific DNA models. For this purpose, we created GeCo3, a new genomic sequence compressor that uses neural networks for mixing multiple context and substitution-tolerant context models. Findings We benchmark GeCo3 as a reference-free DNA compressor in 5 datasets, including a balanced and comprehensive dataset of DNA sequences, the Y-chromosome and human mitogenome, 2 compilations of archaeal and virus genomes, 4 whole genomes, and 2 collections of FASTQ data of a human virome and ancient DNA. GeCo3 achieves a solid improvement in compression over the previous version (GeCo2) of $2.4\%$, $7.1\%$, $6.1\%$, $5.8\%$, and $6.0\%$, respectively. To test its performance as a reference-based DNA compressor, we benchmark GeCo3 in 4 datasets constituted by the pairwise compression of the chromosomes of the genomes of several primates. GeCo3 improves the compression in $12.4\%$, $11.7\%$, $10.8\%$, and $10.1\%$ over the state of the art. The cost of this compression improvement is some additional computational time (1.7–3 times slower than GeCo2). The RAM use is constant, and the tool scales efficiently, independently of the sequence size. Overall, these values outperform the state of the art. Conclusions GeCo3 is a genomic sequence compressor with a neural network mixing approach that provides additional gains over top specific genomic compressors. The proposed mixing method is portable, requiring only the probabilities of the models as inputs, providing easy adaptation to other data compressors or compression-based data analysis tools. GeCo3 is released under GPLv3 and is available for free download at https://github.com/cobilab/geco3.

Silva, Milton↗

OpenACC Profiling Support for Clang and LLVM using Clacc and TAU

Since its launch in 2010, OpenACC has evolved into one of the most widely used portable programming models for accelerators on HPC systems today. Clacc is a project funded by the US Exascale Computing Project (ECP) to bring OpenACC support for C and C++ to the popular Clang and LLVM compiler infrastructure. In this paper, we describe Clacc's support for the OpenACC Profiling Interface, a critical component of the OpenACC specification that standardizes an interface that profiling tools and libraries can depend upon across OpenACC implementations. As part of Clacc's general strategy to build OpenACC support upon OpenMP, we describe how Clacc builds OpenACC Profiling Interface support upon an extended version of OMPT. We then describe how a major profiling and tracing toolkit within ECP, the TAU Performance System, takes advantage of this support. We also describe TAU's selective instrumentation support for OpenACC. Finally, using Clacc and TAU, we present example visualizations for several SPEC ACCEL OpenACC benchmarks running on an IBM AC922 node, and we show that the associated performance overhead is negligible.

Coti, Camille↗

Explainable AI (XAI)-driven vibration sensing scheme for surface quality monitoring in a smart surface grinding process

Local Interpretable and Model-agnostic Explanation (LIME), an explainable artificial intelligence (XAI) approach is adapted to identify the globally important time-frequency bands for predicting average surface roughness (Ra) in a smart grinding process. The smart grinding setup consisted of a Supertech CNC precision surface grinding machine, instrumented with a Dytran piezoelectric accelerometer attached to the tailstock quill along the tangential direction (Y-axis). For every grinding pass, vibration signatures were captured, and the ground truth surface roughness values were recorded using a Mahr Marsurf M300C portable surface roughness profilometer. The roughness values ranged from 0.06 to 0.14 microns over the complete set of experiments. Time-frequency domain spectrogram frames were extracted for each of the vibration signals collected during the grinding process. Convolutional Neural Networks (CNNs) were modeled to predict the surface roughness based on these spectrogram frames and their image augmentations. The best CNN model was able to predict the roughness values with an overall R2-score of 0.95, training R2-score of 0.99, and testing R2-score of 0.81 with only 80 sets of vibration signals corresponding to 4 experiments with 20 trials each. Although the data size is not large enough to guarantee such performance metrics in real-world scenarios, one can extract statistically consistent explanations underlying the relationships these complex deep learning models capture. Further, the LIME methodology was implemented on the developed surface roughness CNN model to identify the important time-frequency bands (i.e., the superpixels of a spectrogram) influencing the predictions. Based on the identified important regions on the spectrogram frames, the corresponding frequency characteristics were determined that influence the surface roughness predictions. The important frequency range based on LIME results was approximately 11.7 to 19.1 kHz. The power of XAI was demonstrated by cutting down the sampling rate from 160 kHz to 30, 20, 10, and 5 kHz based on the important frequency range and considering Nyquist criteria. Separate CNN models were developed for these ranges by only extracting time-frequency contents below their corresponding Nyquist cut-offs. A proper data acquisition strategy is proposed by comparing the model performances to argue the selection of a sufficient sampling rate to capture the grinding process successfully and robustly.

42 ENGINEERING↗

Reprint of: Explainable AI (XAI)-driven vibration sensing scheme for surface quality monitoring in a smart surface grinding process

Local Interpretable and Model-agnostic Explanation (LIME), an explainable artificial intelligence (XAI) approach is adapted to identify the globally important time-frequency bands for predicting average surface roughness (Ra) in a smart grinding process. The smart grinding setup consisted of a Supertech CNC precision surface grinding machine, instrumented with a Dytran piezoelectric accelerometer attached to the tailstock quill along the tangential direction (Y-axis). For every grinding pass, vibration signatures were captured, and the ground truth surface roughness values were recorded using a Mahr Marsurf M300C portable surface roughness profilometer. The roughness values ranged from 0.06 to 0.14 microns over the complete set of experiments. Time-frequency domain spectrogram frames were extracted for each of the vibration signals collected during the grinding process. Convolutional Neural Networks (CNNs) were modeled to predict the surface roughness based on these spectrogram frames and their image augmentations. The best CNN model was able to predict the roughness values with an overall R2-score of 0.95, training R2-score of 0.99, and testing R2-score of 0.81 with only 80 sets of vibration signals corresponding to 4 experiments with 20 trials each. Although the data size is not large enough to guarantee such performance metrics in real-world scenarios, one can extract statistically consistent explanations underlying the relationships these complex deep learning models capture. Further, the LIME methodology was implemented on the developed surface roughness CNN model to identify the important time-frequency bands (i.e., the superpixels of a spectrogram) influencing the predictions. Based on the identified important regions on the spectrogram frames, the corresponding frequency characteristics were determined that influence the surface roughness predictions. The important frequency range based on LIME results was approximately 11.7 to 19.1 kHz. The power of XAI was demonstrated by cutting down the sampling rate from 160 kHz to 30, 20, 10, and 5 kHz based on the important frequency range and considering Nyquist criteria. Separate CNN models were developed for these ranges by only extracting time-frequency contents below their corresponding Nyquist cut-offs. A proper data acquisition strategy is proposed by comparing the model performances to argue the selection of a sufficient sampling rate to capture the grinding process successfully and robustly.

47 OTHER INSTRUMENTATION↗

Functional Predictor Variables for the Leaching Potential of Arsenic and Selenium from Coal Fly Ash

The release of leachates from intact coal ash impoundments is a concern due to the enrichment and mobilization of toxic elements such as arsenic (As) and selenium (Se). This study aims to explore the intrinsic properties of coal fly ash that correlate with the relative leachability of As and Se. We performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic regions. We assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition, and pH. The results of regression models indicated that major elements (Fe, Ca, and Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash.

01 COAL, LIGNITE, AND PEAT↗

Characterization of Arsenic and Selenium in Coal Fly Ash to Improve Evaluations for Disposal and Reuse Potential (Final Technical Report)

Coal fly ash is a high volume waste material that is discarded in landfills and surface water impoundments across the U.S. and is also widely recycled for a variety of applications. The leaching of potential of contaminants of concern, such as arsenic (As) and selenium (Se), is often the driver of risk assessments for coal ash disposal and reuse. The extent of leachable As and Se depends on several factors related to environmental conditions and fly ash characteristics. Previous studies employed various methods to delineate the concentration, chemical form, and distribution of As and Se in fly ash materials. However, few studies have attempted to directly correlate these properties to mobilization parameters relevant to disposal and reuse. Instead, the coal residuals industries often rely upon standardized leaching protocols that can be laborious or involve hazardous chemicals. The goals of the project were to: 1) Develop and evaluate a characterization protocol that can be used to screen fly ash samples for leachability of As and Se; 2) Characterize As, Se, and associated constituents of fly ash particles at multiple length scales (nanometer to micrometer) to determine if elemental associations differ as a function of the resolution of characterization; and 3) Establish a predictive model for the chemical composition of coal ash produced annually at major U.S. coal fired power facilities on 50-year national coal supply records. For the first objective, we performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic coal regions. For this work, we assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition (LOI) and pH. The results of regression models indicated that major elements (Fe, Ca, Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As, but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash. For the second objective, we utilized nanoscale 2-D imaging (30-50 nm spot size) with the Hard X-ray Nanoprobe (HXN) in combination with microprobe X-ray capabilities (~5 µm resolution) to determine As and Se elemental associations in fly ash particles. Speciation of As and Se was also measured at the nano- to microscale with X-ray absorption spectroscopy. The enhanced resolution of HXN showed As and Se that were diffusely located around or comingled with Ca- and Fe-rich particles. The results also showed nanoparticles of Se attached to the surface of fly ash grains. Overall, a comparison of As and Se species across scales highlights the heterogeneity and complexity of chemical associations for these trace elements of concern in coal fly ash. For the final objective, we developed a predictive model for major element composition of coal ash in reserve at disposal sites of major U.S. coal fired power plants. This model was constructed from coal purchase records of 705 power stations from 1973-2022 and was trained on coal ash composition data showing that coal ash elemental composition is strongly associated with the source of feedstock coal. The model showed regional shifts in the major element contents of ash produced by power plants in the last 50 years, particularly for calcium and iron (expressed as %CaO and %Fe 2 O 3 ), as coal-fired power stations changed their source of coal over this time frame. Our approach enables an estimation of coal ash chemical composition that is stored in waste impoundments at individual power stations. Such information can help delineate the regional market potential for material applications that would utilize coal ash harvested from disposal sites across the U.S.

01 COAL, LIGNITE, AND PEAT↗

Lifting the Garage Door on Spawn, An Open-Source BEM-Controls Engine

Spawn is the latest whole-building energy simulation engine developed by the US Department of Energy, National Labs and industry. Whereas EnergyPlus was designed as a successor to DOE-2, Spawn is not a direct successor of–nor is it intended as an imminent replacement for– EnergyPlus. Instead, Spawn reuses parts of EnergyPlus while supporting new use cases in HVAC and controls. Spawn is intended to provide several capabilities that significantly advance beyond EnergyPlus. It is intended to support the evaluation of novel HVAC and district energy systems in a more physically realistic way. Critically, it can model control in a physically realistic way, using portable specifications that can be compiled for execution on control platforms. Spawn is also intended to support co-simulation in an intrinsic way to enable integration with third-party models. This paper describes the software architecture of Spawn from model authoring to compilation and simulation. It explains how Spawn reuses the envelope and daylighting modules of EnergyPlus and couples them to HVAC and control models from the Modelica Buildings Library using the Functional Mockup Interface (FMI) standard. It presents a number of examples that: i) validate Spawn’s coupled simulation approach by comparing its results to those of EnergyPlus, ii) illustrate the Spawn methodology for modeling and simulating HVAC systems, and iii) evaluate the performance of Spawn’s Quantized State System (QSS) time integration algorithms

Wetter, Michael↗

DE‐SC0022708 RESEARCH PERFORMANCE FINAL REPORT

GismoPower’s Final Research Report documents the outcomes of a DOE SBIR Phase II project focused on advancing the MEGA® (Mobile Electricity Generating Appliance), a trailerable, plug-in solar canopy appliance designed to deliver appliance-class electricity generation for homes, small businesses and renters. The project’s core objective was to remove the technical and regulatory barriers that have historically prevented plug-in solar systems from being safely certified, permitted, and interconnected in the United States.

14 SOLAR ENERGY↗