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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61

Defining and applying an electricity demand flexibility benchmarking metrics framework for grid-interactive efficient commercial buildings

Building demand flexibility (DF) research has recently gained attention. To unlock building DF as a predictable grid resource, we must establish a quantitative understanding of the resource size, performance variability, and predictability based on large empirical datasets. Researchers have proposed various sets of theoretical metrics to measure this performance. Some metrics have been applied to simulation results, but most fall short of exploring the complexities in real building applications. There are practical metrics used in individual demand response field studies but they alone cannot fulfil the job of DF benchmarking across a diverse group of buildings. The electrical grid's geographically diverse and changing nature presents challenges to comparing building DF performance measured under different conditions (i.e., benchmarking DF). To address this challenge, a novel DF benchmarking framework focused on load shedding and shifting is presented; the foundation is a set of simple, proven single-event metrics with attributes describing event conditions. These enable benchmarking and visualization in different dimensions for identifying trends that represent how these attributes influence DF. To test its feasibility and scalability, the DF framework was applied to two case studies of 11 office buildings and 121 big-box retail buildings with demand response participation data. Furthermore, these examples provided a pathway for using both building level benchmarking and aggregation to extract insights into building DF about magnitude, consistency, and influential factors. Potential applications of the framework and real-world values have been identified for grid and building stakeholders.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Futures for electrochromic windows on high performance houses in arid, cold climates

This study investigates high performance electrochromic windows used on a passive house and residential dwelling to IECC 2021 (i.e., IECC dwelling). In the lab, the electrochromic film switches transmitted solar heat gain coefficient (SHGC) from 0.09 to 0.7 and visible transmittance from 0.15 to 0.82 with power consumption of 1.23 W/m 2 during switching times less than 3 minutes. We extrapolate these results to a window assembly. Building energy models of the houses were evaluated in Santa Fe, New Mexico. A Monte Carlo analysis for 2020, 2040, 2060, and 2080 was conducted for Shared Socioeconomic Pathways 2-4.5, 3-7.0, and 5-8.5. Cases with and without the electrochromic windows and with and without electricity were used to determine energy use intensity and hours beyond thermal safety thresholds. The passive house showed 1.3-3.1% mean energy savings and the IECC dwelling 4.4-5.1% with electrochromic efficiency benefits growing into the future for both cases. Even so, overall savings decrease into the future for the passive house, due to growth in cooling load being dominant, conversely overall energy savings increase into the future for the IECC dwelling due to heating loads being dominant. For thermal resilience, the passive house exhibited a mean percent decrease of 0.02-0.31% hours in the extreme caution (i.e., > 32.2 °C, ≤ 39.4 °C) range while the IECC dwelling exhibited 0.38-4.38%. The study therefore shows that electrochromic windows will have smaller benefits for the passive house in comparison to the IECC dwelling. The relationship between electrochromic windows is shown to have a complex relationship between house efficiency and climate change by these results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Exploring pressure-dependent inelastic deformation and failure in bonded granular composites: An energetic materials perspective

In polymer-filled granular composites, damage may develop in mechanical loading prior to material failure. Damage mechanisms such as microcracking or plastic deformation in the binder phase can substantially alter the material’s mesostructure. For energetic materials, such as solid propellants and plastic bonded explosives, these mesostructural changes can have far reaching effects including degraded mechanical properties, potentially increased sensitivity to further insults, and changes in expected performance. Unfortunately, predicting damage is nontrivial due to the complex nature of these composites and the entangled interactions between inelastic mechanisms. In this work, we assess the current literature of experimental knowledge, focusing on the pressure-dependent shear response, and propose a simple simulation framework of bonded particles to study four limiting-case material formulations at both meso- and macro-scales. Further, to construct the four cases, we systematically vary the relative interfacial strength between the polymer binder and granular filler phase and also vary the polymer’s glass transition temperature relative to operating temperature which determines how much the binder can plastically deform. These simulations identify key trends in global mechanical response, such as the emergence of strain hardening or softening regimes with increasing pressure which qualitatively resemble experimental results. By quantifying the activation of different inelastic mechanisms, such as bonds breaking and plastically straining, we identify when each mechanism becomes relevant and provide insight into potential origins for changes in mechanical responses. The locations of broken bonds are also used to define larger, mesoscopic cracks to test various metrics of damage. We primarily focus on triaxial compression, but also test the opposite case of triaxial extension to highlight the impact of Lode angle on mechanical behavior.

36 MATERIALS SCIENCE↗

Revealing the Rate-Limiting Li-Ion Diffusion Pathway in Ultrathick Electrodes for Li-Ion Batteries

Increasing the loading of active materials by thickening the battery electrode coating can enhance the energy density of a Li-ion cell, but the trade-off is the much reduced Li + transport kinetics. To reach the optimum energy and power density for thick electrodes, the effective chemical diffusion coefficient of Li + (D Li ) must be maximized. However, the diffusion of Li + inside an electrode is a complex process involving both microscopic and macroscopic processes. Fundamental understandings are needed on the rate-limiting process that governs the diffusion kinetics of Li + to minimize the negative impact of the large electrode thickness on their electrochemical performance. In this study, lithium Ni–Mn–Co oxide (NMC) cathodes of various thicknesses ranging from 100 to 300 μm were used as a model system to study the rate-limiting diffusion process during charge/discharge. The rate-limiting diffusion coefficient of Li + was investigated and quantified, which was correlated to the electrochemical performance degradation of thick electrodes. Lastly, it is revealed here that the under-utilization of the active material was caused by the limited diffusion of Li + inside the porous electrode, leading to a critical electrode thickness, beyond which the specific capacity was significantly reduced.

25 ENERGY STORAGE↗

Runtime performance of a GAMESS quantum chemistry application offloaded to GPUs

Summary Computational chemistry is at the forefront of solving urgent societal problems, such as polymer upcycling and carbon capture. The complexity of modeling these processes at appropriate length and time scales is mainly manifested in the number and types of chemical species involved in the reactions and may require models of several thousand atoms and large basis sets to accurately capture the chemical complexity and heterogeneity in the physical and chemical processes. The quantum chemistry package General Atomic and Molecular Electronic Structure System (GAMESS) has a wide array of methods that can efficiently and accurately treat complex chemical systems. In this work, we have used the GAMESS Effective Fragment Molecule Orbital (EFMO) method for electronic structure calculation of a challenging mesoporous silica nanoparticle (MSN) model surrounded by about 4700 water molecules to investigate the strong scaling and GPU offloading on hybrid CPU‐GPU nodes. Experiments were performed on the Perlmutter platform at the National Energy Research Scientific Computing Center. Good strong scaling and load balancing have been observed on up to 88 hybrid nodes for different settings of the execution parameters for the calculation considered here. When GPUs are oversubscribed by offloading work from multiple CPU processes, using the NVIDIA multi‐process service (MPS) has consistently reduced time to solution and energy consumed. Additionally, for some configuration parameter settings, oversubscription with MPS improved performance by up to 5.8% over the case without oversubscription.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

OC5 Project Phase Ib: Validation of hydrodynamic loading on a fixed, flexible cylinder for offshore wind applications

This paper summarizes the findings from Phase Ib of the Offshore Code Comparison, Collaboration, Continued with Correlation (OC5) project. OC5 is a project run under the International Energy Agency (IEA) Wind Research Task 30, and is focused on validating the tools used for modelling offshore wind systems through the comparison of simulated responses of select offshore wind systems (and components) to physical test data. For Phase Ib of the project, simulated hydrodynamic loads on a flexible cylinder fixed to a sloped bed were validated against test measurements made in the shallow water basin at the Danish Hydraulic Institute (DHI) with support from the Technical University of Denmark (DTU). The first phase of OC5 examined two simple cylinder structures (Phase Ia and Ib) to focus on validation of hydrodynamic models used in the various tools before moving on to more complex offshore wind systems and the associated coupled physics. As a result, verification and validation activities such as these lead to improvement of offshore wind modelling tools, which will enable the development of more innovative and cost-effective offshore wind designs.

17 WIND ENERGY↗

Influence of the solute concentration on the anelasticity in Mg-Al alloys: A multiple-approach study

The anelastic mechanical response caused by complex twinning-detwinning processes interacting with dislocation slip in Mg and its alloys is ubiquitous for their deformation behavior. A rare blend of advanced in-situ techniques with different spatiotemporal resolutions, including the acoustic emission (AE) measurements, neutron diffraction, in-situ SEM and high-speed microscopic video imaging, enabled access to otherwise inaccessible fine microstructural details of the underlying deformation mechanisms during cyclic loading of Mg alloys. Specifically, the influence of the alloying content on the anelastic behavior was characterized by the combination of these techniques. Finally, the applicability, advantages, and disadvantages of different in-situ techniques to study the deformation mechanisms in Mg alloys are discussed.

36 MATERIALS SCIENCE↗

Optimal Droop Setting for Congestion Reduction in a 100% Grid-Forming Inverter-based Power System

he high penetration of inverter-based resources (IBRs) introduces new challenges to power systems due to the complex inverter control. However, IBRs can be configured to maximize their benefits to improve system resilience and reliability. This paper proposes a steady-state optimization model that aims to mitigate transmission congestion in a 100% grid- forming (GFM) IBR-based power system. This goal is achieved by determining the optimal droop settings for the GFM IBRs under different congestion conditions due to renewable energy and load variations. The numerical solution is rigorously verified by a high-fidelity model of the IEEE 39-bus test system with detailed GFM IBR control in the time-domain electromagnetic transient (EMT) simulation tool PSCAD. The numerical solution and simulation results show a significant congestion reduction while meeting all other operating requirements. It is also observed that the numerical solving time is substantially less compared to the EMT simulation time.

Nguyen, Quan H.↗

Distance dependent quenching and gamma-ray spectroscopy in tin-loaded polystyrene scintillators

In this study, we report the synthesis and inclusion of rationally designed organotin compounds in polystyrene matrices as a route towards plastic scintillators capable of gamma-ray spectroscopy. Tin loading ratios of up to 15% w/w have been incorporated, resulting in photopeak energy resolution values as low as 10.9% for 662 keV gamma-rays. Scintillator constituents were selected based upon a previously reported distance-dependent quenching mechanism. Data obtained using UV-Vis and photoluminescence measurements are consistent with this phenomenon and are correlated with the steric and electronic properties of the respective organotin complexes. We also report fast scintillation decay behavior that is comparable to the quenched scintillators 0.5% trans-stilbene doped bibenzyl and the commercial plastic scintillator BC-422Q-1%. These observations are discussed in the context of practical considerations such as optical transparency, ease-of-preparation/scale-up, and total scintillator cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Return on Investment (ROI) Framework Case Study: CTH.

CTH is a Eulerian code developed at Sandia National Laboratories capable of modeling the hydrodynamic response of explosives, liquids, gases, and solids. The code solves complex multi-dimensional problems characterized by large deformations and strong shocks that are composed of various material configurations. CTH includes models for material strength, fracture, porosity, and high explosive detonation and initiation. The code is an acronym for a complex series of names relating to its origin. A full explanation can be seen in Appendix A. The software breaks penetration simulations into millions of grid-like “cells”. As a modeled projectile impacts and penetrates a target, progressively smaller blocks of cells are placed around the projectile, which show in detail deformations and breakups. Additionally, the code is uniquely suited to modeling blunt impact and blast loading leading to human body injury.

42 ENGINEERING↗

Initial Design Curves for Alloy 709 for an Improved Creep-fatigue Design Method

Creep-fatigue (CF) interaction damage is the primary damage mode for high-temperature structural components subjected to cyclic loading. Over the past several decades, researchers within the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section III, Division 5, have focused on developing elevated temperature code rules to ensure conservative structural designs that mitigate CF failure in high-temperature reactors. The existing CF evaluation methodologies in the Code are based on the creep and fatigue damage diagram approach, which is complex and often excessively conservative. The alternative CF evaluation approach proposed here is intended to significantly simplify the evaluation procedure while reducing conservatism in high-temperature component design analysis. This alternative CF evaluation method integrates the elastic–perfectly plastic (EPP) analysis approach with the simplified model test (SMT) CF design concept, leveraging the advantages of both methods. This report presents the preliminary analysis and the approach for developing CF design curves for Alloy 709, utilizing fatigue and CF data generated for the 100,000-hr Code Case to support its qualification to ASME Section III, Division 5 for Class A construction of high temperature reactors. This study is to support the incorporation of Alloy 709 in this alternative CF evaluation method. Recommendations for the remaining work needed to complete the effort are also provided.

36 MATERIALS SCIENCE↗

Lighting controls: not just for lighting anymore!

For the last few years, networked lighting controls (NLCs) have promised significant energy savings beyond what is achieved through a basic LED retrofit. At the same time, NLCs can substantially increase the cost and complexity of the lighting retrofit. And as lighting system wattage declines because of the increasing efficiency of LEDs, advanced controls have less lighting energy to save and the cost-effectiveness of the NLC investment decreases. But NLCs can be leveraged to achieve significant energy savings and value by enhancing control of other building systems. Integrating NLC with control of heating, ventilation and air conditioning (HVAC), plug load control, space utilization, and grid services all enhance the value of your NLC investment. There are already a few NLC products on the market that are capable of providing these enhanced benefits. Manufacturers and entrepreneurs are working hard to expand the impact of these products. But does system interoperability work? Can it be deployed at scale? Slipstream, NEEA and Pacific Northwest National Laboratory (PNNL) have all been attempting to answer these questions in recent pilot projects and describe the outcomes in this paper.

Hackel, Scott↗

$\mathrm{RADICAL}$-Pilot and $\mathrm{PMIx}$/$\mathrm{PRRTE}$: Executing Heterogeneous Workloads at Large Scale on Partitioned $\mathrm{HPC}$ Resources

Execution of heterogeneous workflows on high-performance computing (HPC) platforms present unprecedented resource management and execution coordination challenges for runtime systems. Task heterogeneity increases the complexity of resource and execution management, limiting the scalability and efficiency of workflow execution. Re-source partitioning and distribution of tasks execution over portioned re-sources promises to address those problems but we lack an experimental evaluation of its performance at scale. Here this paper provides a performance evaluation of the Process Management Interface for Exascale (PMIx) and its reference implementation PRRTE on the leadership-class HPC plat-form Summit, when integrated into a pilot-based runtime system called RADICAL-Pilot. We partition resources across multiple PRRTE Distributed Virtual Machine (DVM) environments, responsible for launching tasks via the PMIx interface. We experimentally measure the work-load execution performance in terms of task scheduling/launching rate and distribution of DVM task placement times, DVM startup and termination overheads on the Summit leadership-class HPC platform. Integrated solution with PMIx/PRRTE enables using an abstracted, standardized set of interfaces for orchestrating the launch process, dynamic process management and monitoring capabilities. It extends scaling capabilities allowing to overcome a limitation of other launching mechanisms (e.g., JSM/LSF). Explored different DVM setup configurations provide insights on DVM performance and a layout to leverage it. Our experimental results show that heterogeneous workload of 65,500 tasks on 2048 nodes, and partitioned across 32 DVMs, runs steady with resource utilization not lower than 52%. While having less concurrently executed tasks resource utilization is able to reach up to 85%, based on results of heterogeneous workload of 8200 tasks on 256 nodes and 2 DVMs.

97 MATHEMATICS AND COMPUTING↗

A Deep Generative Model for Non-Intrusive Identification of EV Charging Profiles

The proliferation of electric vehicles (EVs) brings environmental benefits and technical challenges to power grids. An identification algorithm which can accurately extract individual EV charging profiles out of widely available smart meter measurements has attracted great interests. This paper proposes a non-intrusive identification framework for EV charging profile extraction, which is driven by deep generative models (DGM). First, the proposed DGM is designed as a representation layer embedded into the Markov process and used to model the joint probability distribution of available time-series data. A novel contribution is to approximate posterior distributions by neural networks whose parameters are obtained by variational inference and supervised learning. Second, the EV charging status is inferred from the DGM via dynamic programming. Lastly, the desired EV charging profile can be reconstructed by the rated power of EV models and inferred status. Compared with the benchmark Hidden Markov Models, the proposed framework can better handle noise in data with less computational complexity and better overall accuracy performances with smaller recall. The proposed framework is validated by numerical experiments on the Pecan Street dataset.

33 ADVANCED PROPULSION SYSTEMS↗

Frequency-dependent ferroelectric behavior of BaMn3Ti4O14.25 at room temperature

We report the activation field and selective frequency-dependent ferroelectric behavior of BaMn3Ti4O14.25 (BMT-134) at room temperature. BMT-134, a recently discovered multiferroic complex oxide, exhibits antiferromagnetic and ferroelectric behavior and belongs to the hollandite crystal class. The microstructure can be manipulated through processing conditions to prepare a nanocrystalline textured tablet. We measured polarization-electric field (P-E) hysteresis loops and strain-electric field butterfly loops as a function of frequency in order to investigate the AC dynamics of domain switching and strain behavior. Under an electric field loading condition, a clear hysteresis loop of the electric field-displacement curve is obtained at 50 Hz, indicating that room temperature ferroelectricity is attainable under the right processing conditions. When the frequency is increased to 500 Hz, the coercive field also increases, until the frequency reaches 5 kHz, at which point the electric field versus electric displacement becomes linear indicating the limit of domain switching at high frequency.

Hossain, Muhammad E.↗

Progress in developing a superconducting accelerator for efficient eBeam and X-ray production

The PIP-II Accelerator is an 800 MeV superconducting Linac in the injection chain of the Fermilab accelerator complex. The LLRF systems for the 125 cavities which include a few normal conducting cavities in the warm front-end section, use a variety of LLRF hardware components and sub-systems that are part of the timing and synchronization system. This includes a master oscillator and phase averaging reference line, a beam pattern generator to enable beam transfer between non-harmonic RF systems and beam loading compensation systems synchronized to a start of beam trigger. The timing signals are based on a 650 MHz clock with manchester encoded event information and data provided over optical fiber. The timing and synchronization systems and their performance parameters will be described here.

43 PARTICLE ACCELERATORS↗

Timing and Synchronization in the LLRF systems of the Fermilab PIP-II Linac

The PIP-II Accelerator is an 800 MeV superconducting Linac in the injection chain of the Fermilab accelerator complex. The LLRF systems for the 125 cavities which include a few normal conducting cavities in the warm front-end section, use a variety of LLRF hardware components and sub-systems that are part of the timing and synchronization system. This includes a master oscillator and phase averaging reference line, a beam pattern generator to enable beam transfer between non-harmonic RF systems and beam loading compensation systems synchronized to a start of beam trigger. The timing signals are based on a 650 MHz clock with manchester encoded event information and data provided over optical fiber. The timing and synchronization systems and their performance parameters will be described here.

Varghese, Philip↗