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At least 883 records · Page 49

A new control score concept for building performance assessment

In buildings, performance assessment often focuses on energy use with metrics such as energy use intensity (EUI) used to benchmark performance. However, energy performance of a building is fundamentally determined by the control system that engages the energy-using systems. There are two aspects of control that are of particular importance: (1) the ability to regulate process variables to their setpoints; and (2) whether the setpoints are at the right levels and/or following desired profiles. Most buildings do not reach their energy efficiency potential due to deficiencies in control performance and operators do not have access to metrics that can illuminate these deficiencies. Here this paper addresses this problem by providing novel techniques that combine these two aspects of control performance into a single standardized score on the scale of 0-10. The concept of a standardized control scores enables all systems in a building to be compared on the same scale and also for scores to be rolled up to different levels in the building and system hierarchy for system-wide analysis. The paper presents the theory for the method, describes a prototype tool for displaying scores, and presents results from application to a large building in Minneapolis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quantifying System Strength From Grid-Forming Resources Using Frequency Scan Approach: Preprint

Current industry practices for quantifying the system strength contribution from grid-forming (GFM) resources to ensure stability of power systems dominated by inverter-based resources (IBRs) are primarily based on iterative electromagnetic transient (EMT) time-domain simulation studies. While feasible, these approaches are resource-intensive, lack scalability and intuition, and might not evaluate the system strength contribution over the entire frequency range of interest. This paper introduces a novel, frequency-domain approach to quantify system strength support provided by a GFM resource using frequency scans. The proposed method uses transfer functions from the grid voltage magnitude (V) and phase (?), respectively, to the reactive (Q) and active power (P) output of a GFM resource for quantifying its contribution to system strength. These transfer functions provide a direct measure of the ability of a GFM resource to behave as a stiff voltage source behind a reactance over a specified frequency range, enabling robust quantification of its system strength contribution. The key innovation of this work is the development of a frequency domain system strength metric called the dynamic short-circuit ratio (dSCR) that is suitable for IBR-dominated power systems and is directly related with the familiar short circuit ratio (SCR) metric. The new metric, dSCR, enables the assessment of system strength contributions from both synchronous machines and converter-based GFM resources using a unified benchmark, which is not possible with the traditional SCR metric. The paper also demonstrates how impedance scans could identify if an unstable condition observed during weak grid conditions is a result of the lack active or reactive power support or both. By leveraging the proposed frequency-domain dSCR metric for quantifying system strength contribution from GFM IBRs, the paper demonstrates targeted mitigation strategies for weak grid instabilities without resorting to repeated, time-consuming time-domain simulations. The result is a scalable and efficient approach to remediate stability challenges in power systems with high shares of IBRs and accelerating the integration of GFM technologies for system strength support in power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Impact analysis of DERs on bulk power system stability through the parameterization of aggregated DER_a model for real feeders

With an ever increasing percentage of distributed energy resources (DERs) connected behind the meter in the distribution system, it is becoming increasingly important to equip transmission planners with the visibility of DER dynamic performance in distribution system. Not having visibility of the disconnection of DERs with the occurrence of transmission events, could result in an erroneous view of the stability of bulk power system. Here, in this paper, a parameterized aggregated model (DER_a) serves as a representation of the distribution-level dynamics of real residential feeders, which is used for analysis of bulk power system stability. The parameters are obtained by executing dynamic Monte Carlo simulations. Faults are then induced at the substation level causing the DERs to trip which subsequently enables the parameterization of the low and high voltage breakpoints (v l0 , v l1 , v h0 , and v h1 ) of the DER_a model’s partial voltage trip block. These parameters are then utilized to study the effectiveness of the DER_a model to represent the behavior of the aggregated DERs’ response and their impact on the bulk power system. The case study shows the ability of the positive-sequence DER_a model to provide an accurate estimation of DERs that are susceptible to trip due to 3-$\phi$ and 1-$\phi$ faults of transmission.

14 SOLAR ENERGY↗

Genomes OnLine Database (GOLD) v.8: overview and updates

The Genomes OnLine Database (GOLD) (https://gold.jgi.doe.gov/) is a manually curated, daily updated collection of genome projects and their metadata accumulated from around the world. The current version of the database includes over 1.17 million entries organized broadly into Studies (45 770), Organisms (387 382) or Biosamples (101 207), Sequencing Projects (355 364) and Analysis Projects (283 481). These four levels contain over 600 metadata fields, which includes 76 controlled vocabulary (CV) tables containing 3873 terms. GOLD provides an interactive web user interface for browsing and searching by a wide range of project and metadata fields. Users can enter details about their own projects in GOLD, which acts as a gatekeeper to ensure that metadata is accurately documented before submitting sequence information to the Integrated Microbial Genomes (IMG) system for analysis. In order to maintain a reference dataset for use by members of the scientific community, GOLD also imports projects from public repositories such as GenBank and SRA. Here, the current status of the database, along with recent updates and improvements are described in this manuscript.

59 BASIC BIOLOGICAL SCIENCES↗

Dynamic Thermal Performance Analysis of PCM Products Used for Energy Efficiency and Internal Climate Control in Buildings

PCMs are attractive for the future generation of buildings, where energy efficiency targets and thermal comfort expectations are increasingly prioritized. Experimental analysis of local thermal processes in these dynamic components and whole-building energy consumption predictions are essential for the proper implementation of PCMs in buildings. This paper discusses the experimental analysis of the thermophysical characteristics of both a latent heat storage material (PCM) and a product containing this PCM. The prototype product under investigation is a panelized PCM technology containing inorganic, salt-hydrate-based PCM. The thermal analysis includes studies of melting and freezing temperatures, enthalpy changes during phase change processes, nucleation intensity, sub-cooling effects, and PCM stability. The PCM’s stability is also investigated, as is the ability of PCM products to control local temperatures and peak load transmission times. Two inorganic PCM formulations based on calcium chloride hexahydrate (CaCl 2 .6H 2 O) were prepared and tested in laboratory conditions. Material-scale testing results were compared with outcomes from the system-scale analysis, using both laboratory test methods as well as field exposure in test huts. This work demonstrates that PCM technologies used in buildings can effectively control both the magnitude of thermal storage capacity as well as the time of the peak thermal load. It was found that commonly used material-scale testing methods may not always be beneficial in assessing the dynamic thermal performance characteristics of building technologies containing PCMs.

42 ENGINEERING↗

Comparison of Model Predictions and Performance Test Data for a Prototype Thermal Energy Storage Module

Although model predictions of thermal energy storage (TES) performance have been explored in previous investigations, relevant test data that enable experimental validation of performance models have been limited. This is particularly true for high-performance TES designs that facilitate fast input and extraction of energy. In this paper, we present a summary of experimental tests of a high-performance TES unit using lithium nitrate trihydrate phase change material as a storage medium. Performance data are presented for complete dual-mode cycles consisting of extraction (melting) followed by charging (freezing). These tests simulate the cyclic operation of a TES unit for asynchronous cooling in a variety of applications. Finally, the model analysis is found to agree reasonably well, within 10%, with the experimental data except for conditions very near the initiation of freezing, a consequence of subcooling that is required to initiate solidification.

25 ENERGY STORAGE↗

Simulation insights into wetting properties of hydrogen-brine-clay for hydrogen geo-storage

Hydrogen geo-storage is attracting substantial interdisciplinary interest as a cost-effective and sustainable option for medium- and long-term storage. Hydrogen can be stored underground in diverse formations, including aquifers, salt caverns, and depleted oil and gas reservoirs. The wetting dynamics of the hydrogen-brine-rock system are critical for assessing both structural and residual storage capacities, and ensuring containment safety. Through molecular dynamics simulations, we explore how varying concentrations of cushion gases (CO 2 or CH 4 ) influence the wetting properties of hydrogen-brine-clay systems under geological conditions (15 MPa and 333 K). We employed models of talc and the hydroxylated basal face of kaolinite (kaoOH) as clay substrates. Our findings reveal that the effect of cushion gases on hydrogen-brine-clay wettability is strongly dependent on the clay-brine interactions. Notably, CO 2 and CH 4 reduce the water wettability of talc in hydrogen-brine-talc systems, while exerting no influence on the wettability of hydrogen-brine-kaoOH systems. Detailed analysis of free energy of cavity formation near clay surfaces, clay-brine interfacial tensions, and the Willard-Chandler surface for gas-brine interfaces elucidate the molecular mechanisms underlying wettability changes. Our simulations identify empirical correlations between wetting properties and the average free energy required to perturb a flat interface when clay-brine interactions are less dominant. Here, our thorough thermodynamic analysis of rock-fluid and fluid-fluid interactions, aligning with key experimental observations, underscores the utility of simulated interfacial properties in refining contact angle measurements and predicting experimentally relevant properties. These insights significantly enhance the assessment of gas geo-storage potential. Prospectively, the approaches and findings obtained from this study could form a basis for more advanced multiscale simulations that consider a range of geological and operational variables, potentially guiding the development and improvement of geo-storage systems in general, with a particular focus on hydrogen storage.

25 ENERGY STORAGE↗

ThinCurr: An open-source 3D thin-wall eddy current modeling code for the analysis of large-scale systems of conducting structures

In this paper we present a new thin-wall eddy current modeling code, ThinCurr, for studying inductively-coupled currents in 3D conducting structures -- with primary application focused on the interaction between currents flowing in coils, plasma, and conducting structures of magnetically-confined plasma devices. The code utilizes a boundary finite element method on an unstructured, triangular grid to accurately capture device structures. The new code, part of the broader Open FUSION Toolkit, is open-source and designed for ease of use without sacrificing capability and speed through a combination of Python, Fortran, and C/C++ components. Scalability to large models is enabled through use of hierarchical off-diagonal low-rank compression of the inductance matrix, which is otherwise dense. Ease of handling large models of complicated geometry is further supported by automatic determination of supplemental elements through a greedy homology approach. Here, a detailed description of the numerical methods of the code and verification of the implementation of those methods using cross-code comparisons against the VALEN code and Ansys commercial analysis software is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Sensitivity Analysis of Particle-In-Cell Modeling Parameters in Settling Bed, Bubbling Fluidized Bed and Circulating Fluidized Bed

The objective of the work presented is to perform a preliminary sensitivity analysis of particle-in-cell (PIC) model parameters when applied to settling bed, bubbling fluidized bed, and circulating fluidized bed simulations. These examples correspond to widely different flow conditions commonly seen in chemical engineering applications. Simulations were performed using the PIC method in the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). As part of the non-intrusive uncertainty quantification (UQ) analysis, simulation campaigns were generated using Nodeworks. Sampling locations or settings for PIC model parameters were determined using the Latin Hypercube method. Response surfaces were created using radial basis functions (RBF), and Sobol’ indices were estimated to quantify the influence of model parameters on the quantities of interest (QoI). This study marks a first step towards systematically determining optimal ranges for model parameters used in MFiX-PIC. Based on limited experience, it is expected that these values would depend strongly on flow conditions. Given the complexity of the multiphase flow systems under analysis, a non-intrusive UQ based approach is used to identify the most influential parameters in each case. This prior knowledge will help in proposing an effective design of experiments (DoE) and determine optimal parameters through techniques such as deterministic or Bayesian calibration, which will be pursued in the future.

42 ENGINEERING↗

Mechanistic Source Term Considerations for Advanced Non-LWRs

This report is a functional review of the radionuclide containment strategies of fluoride-salt-cooled high temperature reactor (FHR), molten salt reactor (IVISR) and high temperature gas reactor (HTGR) systems. This analysis serves as a starting point for further, more in-depth analyses geared towards identifying phenomenological gaps that still exist, preventing the creation of a mechanistic source term for these reactor types. As background information to this review, an overview of how a mechanistic source term is created and used for consequence assessment necessary for licensing is provided. How mechanistic source term is used within the LMP is also provided. Third, the characteristics of non-LWR mechanistic source terms are examined This report does not assess the viability of any software system for use with advanced reactor designs, but instead covers system function requirements. Future work within the Nuclear Energy Advanced Modeling and Simulations (NEAMS) program will address such gaps.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Knowledge-matching based computational framework for genome-scale metabolic model refinement

Genome-scale metabolic models (GEMs) are mathematically structured knowledge base reconstructed from annotated genome of different organisms. With the advancement of next-generation sequencing technology, many organisms have had their genomes sequenced. However, obtaining a high-quality GEM is highly time-consuming, even with the introduction of several genome-scale reconstruction tools that offer automated draft network generation and gap filling. It has been recognized that the iterative process of manual curation and refinement is the limiting step of GEM development, and how to expedite the GEM refinement is still an open question. As cellular metabolism is a complex system with very high degree of freedom and redundancy, the principles and techniques developed in process systems engineering can be adapted to expedite GEM refinement. In this paper we present a knowledge-matching based computation framework for GEM refinement, and demonstrate the effectiveness of the proposed solution using the refinement of a GEM for Clostridium tyrobutyricum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mechanistic Source Term Considerations for Advanced Non-LWRs (Revision 1)

This report is a functional review of the radionuclide containment strategies of fluoride-salt-cooled high temperature reactor (FHR), molten salt reactor (MSR) and high temperature gas reactor (HTGR) systems. This analysis serves as a starting point for further, more in-depth analyses geared towards identifying phenomenological gaps that still exist, hindering the creation of a mechanistic source term for these reactor types. As background information to this review, an overview of how a mechanistic source term is created and used for consequence assessment necessary for licensing is provided. How a mechanistic source term is used within the Licensing Modernization Project (LMP) is also provided. Lastly, the characteristics of non-LWR mechanistic source terms are examined. This report does not assess the viability of any software system for use with advanced reactor designs, but instead covers system function requirements. Future work within the Nuclear Energy Advanced Modeling and Simulations (NEAMS) program will address such gaps. This document is an update of SAND 2020-6730. An additional chapter is included as well as edits to original content.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Imaging and spatially resolved mass spectrometry applications in nephrology

The application of spatially resolved mass spectrometry (MS) and MS imaging approaches for studying biomolecular processes in the kidney is rapidly growing. These powerful methods, which enable label-free and multiplexed detection of many molecular classes across omics domains (including metabolites, drugs, proteins and protein post-translational modifications), are beginning to reveal new molecular insights related to kidney health and disease. Further, the complexity of the kidney often necessitates multiple scales of analysis for interrogating biofluids, whole organs, functional tissue units, single cells and subcellular compartments. Various MS methods can generate omics data across these spatial domains and facilitate both basic science and pathological assessment of the kidney. Optimal processes related to sample preparation and handling for different MS applications are rapidly evolving. Emerging technology and methods, improvement of spatial resolution, broader molecular characterization, multimodal and multiomics approaches and the use of machine learning and artificial intelligence approaches promise to make these applications even more valuable in the field of nephology. Overall, spatially resolved MS and MS imaging methods have the potential to fill much of the omics gap in systems biology analysis of the kidney and provide functional outputs that cannot be obtained using genomics and transcriptomic methods.

60 APPLIED LIFE SCIENCES↗

Learning perturbation-inducible cell states from observability analysis of transcriptome dynamics

Abstract A major challenge in biotechnology and biomanufacturing is the identification of a set of biomarkers for perturbations and metabolites of interest. Here, we develop a data-driven, transcriptome-wide approach to rank perturbation-inducible genes from time-series RNA sequencing data for the discovery of analyte-responsive promoters. This provides a set of biomarkers that act as a proxy for the transcriptional state referred to as cell state. We construct low-dimensional models of gene expression dynamics and rank genes by their ability to capture the perturbation-specific cell state using a novel observability analysis. Using this ranking, we extract 15 analyte-responsive promoters for the organophosphate malathion in the underutilized host organism Pseudomonas fluorescens SBW25. We develop synthetic genetic reporters from each analyte-responsive promoter and characterize their response to malathion. Furthermore, we enhance malathion reporting through the aggregation of the response of individual reporters with a synthetic consortium approach, and we exemplify the library’s ability to be useful outside the lab by detecting malathion in the environment. The engineered host cell, a living malathion sensor, can be optimized for use in environmental diagnostics while the developed machine learning tool can be applied to discover perturbation-inducible gene expression systems in the compendium of host organisms.

59 BASIC BIOLOGICAL SCIENCES↗

Thermal Neutron Scattering Cross Sections for Graphitic Amorphous Carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm 3 . From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical features and the optical graphitic peak at 0.25 eV for the ideal graphite DOS disappear for graphite-like amorphous carbon, which shows good agreement with the expected structure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Thermal neutron scattering cross sections for amorphous carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm{sup 3}. From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical optical peak at 0.25 eV for the ideal graphite disappears for amorphous carbon, in good agreement with the expected structure. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Oxidative stress is a shared characteristic of ME/CFS and Long COVID

Over 65 million individuals worldwide are estimated to have Long COVID (LC), a complex multisystemic condition marked by fatigue, post-exertional malaise, and other symptoms resembling myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS). With no clinically approved treatments or reliable diagnostic markers, there is an urgent need to define the molecular underpinnings of these conditions. By studying bioenergetic characteristics of peripheral blood lymphocytes in 25 healthy controls, 27 ME/CFS, and 20 LC donors, we find both ME/CFS and LC donors exhibit signs of elevated oxidative stress, especially in the memory subset. Using a combination of flow cytometry, RNA-seq, mass spectrometry, and systems chemistry analysis, we observed aberrations in reactive oxygen species (ROS) clearance pathways including elevated glutathione levels, decreases in mitochondrial superoxide dismutase protein levels, and glutathione peroxidase 4–mediated lipid oxidative damage. Strikingly, these redox pathways changes show sex-specific trends. While ME/CFS females exhibit higher total ROS and mitochondrial calcium levels, males have normal ROS levels, with pronounced mitochondrial lipid oxidative damage. In females, these higher ROS levels correlate with T cell hyperproliferation, consistent with the known role of elevated ROS in initiating proliferation. This hyperproliferation can be attenuated by metformin, suggesting this Food and Drug Administration (FDA)-approved drug as a possible treatment, as also suggested by a recent clinical study of LC patients. Moreover, these results suggest a shared mechanistic basis for the systemic phenotypes of ME/CFS and LC, which can be detected by quantitative blood cell measurements, and that effective, patient-tailored drugs might be discovered using standard lymphocyte stimulation assays.

ME/CFS↗

Preliminary neutronic and thermal analysis of Inertial Fusion Energy systems with a focus on thick liquid wall concepts

This paper provides an assessment of the neutronic behavior of Inertial Fusion Energy systems using the Serpent 2 Monte Carlo code. The study explores different types of reactor concepts, including dry-wall and thick liquid wall systems. In particular, it characterizes the tritium breeding and energy multiplication performance, as well as the effect of long-term irradiation on structural materials. For this purpose, the displacement per atom (DPA) and the gas production rate in structural materials are calculated. A simplified geometry with varying geometrical parameters is used as a representation for the different kinds of devices. Additionally, the case of the HYLIFE-II concept is used to assess modeling inaccuracies arising from certain approximations. A comparison between the simplified geometry and a realistic one is performed, thanks to Serpent’s capability to run transport calculations on unstructured meshes. The study then addresses the impact of these discrepancies on the temperature distribution in the first wall using the GeN-Foam code for conjugate heat transfer analysis. The results highlight the necessity to consider the heterogeneous nature of the liquid wall, as simplified models tend to underestimate radiation damage metrics and heat loads.

Conjugate heat transfer↗