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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Stochastic Virtual Battery Modeling of Uncertain Electrical Loads using Variational Autoencoder

Effective utilization of flexible loads for grid services, while satisfying end-user preferences and constraints, requires an accurate estimation of the aggregated predictive flexibility offered by the electrical loads. Recently, there have been efforts to quantify the predictive flexibility of thermostatic loads (e.g. residential air-conditioners, electric water-heaters) using the notion of virtual battery (VB), whose state evolution is governed by a first order dynamics including self-dissipation rate, and power and energy capacities. Identifying the VB model parameters for a collection of thermostatic loads, however, is challenging primarily due to uncertainties and lack of information regarding the end-user behavior, underlying device models and parameters. In this paper, we propose a \textit{variational autoencoder}-based deep learning algorithm to identify the parameters of the VB model. Using available sensors and meters data, the proposed algorithm generates not only point estimates of the VB parameters, but also confidence intervals around those values. Effectiveness of the proposed frameworks is demonstrated on a collection of electric water-heater loads, whose operation is driven by uncertain water usage profiles.

virtual battery, deep learning algorithms↗
DOE OSTI2022

Next Generation System Analysis Model Recently Added Features and Future Plans - Abstract

The Nuclear Waste Policy Act of 1982, as amended (NWPA 1982), established the federal government’s responsibility to accept spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from waste owners and generators for ultimate disposition. SNF generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is applying integrated waste management system architecture analysis, system engineering, and decision analysis principles to inform potential future decisions regarding potential nuclear waste management system architectures. Architecture analyses of the IWM system are being conducted to support the future deployment of a comprehensive system for managing nuclear waste that considers all major aspects of the back end of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool designed for the express purpose of modeling the IWM system. NGSAM imports data from the Oak Ridge National Laboratory (ORNL) Unified Database (e.g., historic assembly information, thermal profiles for assembly heat, at-reactor dry storage loadings) to ensure that the simulation initializes with a realistic representation of the state of commercial SNF in the United States. Recent major enhancements that have been implemented into NGSAM since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort and buffer car acquisition. • Addition of heavy haul and barge routes for some sites, as well as support for user-defined inter-modal routes. • Updates to the logic that checks the thermal maps prior to package transport. • Addition of an allocation method that predicts when reactor sites will pack assemblies from their pools for dry storage and allocates packages to those reactor sites in the preceding periods, favoring direct transport packages and reducing the number of packages that reactor sites pack for dry storage at their ISFSIs. • Addition of reactor site family operational limits, which are used to limit the number of loads from the pool and from dry storage at a given reactor site per year. • Support has been added for multiple canister loading maps and packages having multiple compatible transportation overpacks. • Updates in the handling of non-commercial fuel, including a new database containing data to support the updates. • Support for repackaging at reactor sites. • Implementing additional output reports or modifying existing reports. • User edits can now be created and edited via the NGSAM website. • Ability to load packages for dry storage at ISF pools. • Same-type package blending at DOE sites. • Support for multi-mode transloading at reactor sites. These new features have improved NGSAM capabilities and/or improve the user experience with the model and will be discussed in more detail. The initial NGSAM requirements for advanced reactor fuels, reprocessing, treatment, and conditioning are preliminary and are described at a high level in this paper: analysts will provide more specific requirements to the NGSAM team in the future. Additionally, there are many data needs associated with modeling advanced reactors in NGSAM, but many of the data or plans are still in progress and/or yet to be fully defined. However, this document describes an initial exploration of the data relevant to this program. Advanced reactor data will likely require revision as concepts evolve and new considerations are made. This is a technical paper that does not take into account contractual limitations or obligations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). For example, under the provisions of the Standard Contract, spent nuclear fuel in multi-assembly canisters is not an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract governs the obligations of the parties, and this paper in no manner supersedes, overrides, or amends the Standard Contract. This paper reflects technical work which could support future decision making by DOE. No inferences should be drawn from this paper regarding future actions by DOE, which are limited both by the terms of the Standard Contract and Congressional appropriations for the Department to fulfill its obligations under the Nuclear Waste Policy Act including licensing and construction of a spent nuclear fuel repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

EV Hosting Capacity Analysis on Distribution Grids

The increasing trend in electric vehicle (EV) adoption can cause challenges to traditional electric grid operations if utilities are not equipped with tools and methods to effectively manage these fleets. Growing EV charging loads will alter the magnitude and duration of conventional peaks in demand profiles and even significantly shift them, potentially causing operational violations in the distribution grid. This paper presents the development and results of an EV hosting capacity tool to quantify the impacts of injecting large numbers of EV charging loads and to determine the available capacity of existing distribution feeders to continue providing reliable and affordable grid operations. Tools like the hosting capacity analysis would enable utilities to better prepare for grid operations in the near future while exploring the impact and effectiveness of strategies to manage these loads, such as peak pricing and smart charging. This paper evaluates the hosting capacity of some real-world feeders to accommodate EV charging loads, including extreme fast-charging options.

distribution grid↗
DOE OSTI2021

Evaluation of Differential Peptide Loading on Tandem Mass Tag-Based Proteomic and Phosphoproteomic Data Quality

Global and phosphoproteome profiling has demonstrated great utility for the analysis of clinical specimens. One major barrier to the broad clinical application of proteomic profiling is the large amount of biological material required, particularly for phosphoproteomics—currently on the order of 25 mg wet tissue weight, depending on tissue type. For hematopoietic cancers such as acute myeloid leukemia (AML), the sample requirement is in excess of 10 million (1E7) peripheral blood mononuclear cells (PBMCs). Throughout the course of a prospective study, this requirement will certainly exceed what is obtainable from many of the individual patients/timepoints. For this reason, we were interested in examining the impact of differential peptide loading across multiplex channels on proteomic data quality. Methods: To achieve this, we tested a range of channel loading amounts (20, 40, 100, 200, and 400 µg of tryptic peptides, or approximately the material obtainable from 5E5, 1E6, 2.5E6, 5E6, and 1E7 AML patient cells) to assess proteome coverage, quantification reproducibility and accuracy in experiments utilizing isobaric tandem mass tag (TMT) labeling. As expected, we found that fewer missing values are observed in TMT channels with higher peptide loading amounts compared to those with lower loading. Moreover, channels with lower loading amounts have greater quantitative variability than channels with higher loading amounts. Statistical analysis of the differences in means among the five loading groups showed that the 20 µg loading group was significantly different from the 400 µg loading group. However, no significant differences were detected among the 40, 100, 200 and 400 µg loading groups. Conclusions: These assessment data demonstrate the practical limits of loading differential quantities of peptides across channels in TMT multiplexes, and provide a basis for designing the optimal clinical proteomics study when specimen quantities are limited.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Staged OMB for Modular Gasifier/Burner

The goal of this final project report is to comprehensively summarize the work conducted on project DE-FE0031506. In accordance with the Statement of Project Objectives (SOPO), the University of Kentucky Center for Applied Energy Research (UK CAER) (Recipient) has developed a staged opposed multi-burner (OMB) gasifier, scaled down from a commercial gasification technology to utilize coal slurry as feed for the high-temperature gasification. The project involved the design, fabrication, commissioning, parametric testing, and performance validation of the entrained gasifier with multiple burners to narrow the major near-term technical gaps that impede the application of small-size gasification by modularizing the system. Project results verified the UK CAER approach to address the major technical challenges on the gasification modularization for a distributed application at a small scale of 1-5 MWe, while maintaining advantages in cost and flexibility, which include: 1) a cost-effective burner configuration to provide high flexibility in both load and fuel feed; 2) the modularized staged-OMB to provide better gasification performance such as a desired temperature profile, better fuel conversion, better gasification efficiency, and long lifetimes of the refractory wall and burners; and 3) load control simply through changing the number of burners firing. UK CAER’s staged gasifier configuration, fuel blend performance, and economic evaluation shows promise, as summarized in this report, as an effective means for improved gasification efficiency with reduced operation cost and process complexity.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Power allocation by load aggregator with heterogeneous loads using weighted projection

With the recently increasing adoption of transactive energy markets, the role of a load aggregator is becoming increasingly important. Among the many tasks of an aggregator, the task of managing the electricity consumption among a group of grid-interactive efficient buildings according to the demand on the grid is taken up. Specifically, here, the task of allocating a certain amount of power among the participating customers while respecting their preferences and comfort is considered. Modeling this as an aggregate flexibility, the virtual battery conditions that are employed to verify the feasibility of a candidate power profile are derived. A feasible power profile, when allocated, satisfies specified comfort bands. To determine the ideal power requirement of the loads, the model-free control method is employed. The feasible power profile is allocated by embedding the customers’ preferences through weights, posing the power constraint as a hyperplane, and employing a weighted projection from the ideal power requirements onto the constraint plane to solve the considered task. The proposed method is computationally efficient and scalable to any number of heterogeneous thermostatically controlled loads in buildings.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Field Performance of Commercial Building Load Flexibility Using Model Predictive Control

Model Predictive Control (MPC) applied to buildings is starting to see some commercial adoption by companies. However, it is hard to estimate if relative energy cost savings are enough to justify the cost of MPC implementation with few reported demonstrations. In small commercial and residential buildings, a one size-fits-all solution can help reduce implementation costs, while in very large buildings or districts the potential energy cost savings magnitude can cover more tailored solutions. This estimation becomes harder for medium to large commercial buildings, where a one-size-fits-all solution cannot be adopted and potential energy cost savings might not be sufficient to cover a tailored solution. Therefore, value propositions in addition to energy efficiency alone can make MPC technology more attractive through additional energy cost savings. One such value proposition is load shifting in response to dynamic electricity prices. On this aspect, MPC is a key technology to unlock building thermal mass for energy flexibility in response to electric grid conditions. This study shows the experimental results of MPC control of an office building in Berkeley, where different dynamic electricity price profiles were used in the MPC objective function to shift the building load and to calculate hypothetical electricity costs. Results show potential 50% cost savings with respect to the existing controller with the dynamic price scenario.

Zanetti, Ettore↗
DOE OSTI2022

Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules

Characterizing the biophysical properties of bacterial membranes is critical for understanding the protective nature of the microbial envelope, interaction of biological membranes with exogenous materials, and designing new antibacterial agents. Presented here are molecular dynamics simulations for two cationic quaternary ammonium compounds, and the anionic and nonionic form of a fatty acid molecule interacting with a Staphylococcus aureus bacterial inner membrane. The effect of the tested materials on the properties of the model membranes are evaluated with respect to various structural properties such as the lateral pressure profile, lipid tail order parameter, and the bilayer’s electrostatic potential. Conducting asymmetric loading of molecules in only one leaflet, it was observed that anionic and cationic amphiphiles have a large impact on the Staphylococcus aureus membrane’s electrostatic potential and lateral pressure profile as compared to a symmetric distribution. Nonintuitively, we find that the cationic and anionic molecules induce a similar change in the electrostatic potential, which points to the complexity of membrane interfaces, and how asymmetry can induce biophysical consequences. Finally, we link changes in membrane structure to the rate of electroporation for the membranes, and again find a crucial impact of introducing asymmetry to the system. Understanding these physical mechanisms provides critical insights and viable pathways for the rational design of membrane-active molecules, where controlling the localization is key.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Probabilistic Analysis of Uncertainty in ATRC Flux Profiles

ATRC is a replica of the larger ATR design and is used to conduct research and obtain data such as flux measurements, excess reactivity, and loading requirements before being loaded into ATR. One method for determining the impact an experiment will have at ATR is by looking at the axial flux profile along the fuel rod in the corresponding ATRC experiment; however, flux wand measurements includes large amounts of variation which makes drawing conclusions from the data difficult. This poster describes a definitive method to propagate the uncertainty from ATRC measurements using Python code.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Impact of High-Reactivity Advanced Test Reactor Experiments on Photon Heating in Nearby Experiment Locations

The Advanced Test Reactor’s (ATR’s) distinctive ability to provide a wide range of irradiation conditions is attractive for programs pursuing fuel qualification experiments. These potentially high-fuel-load experiments are a relatively new development and produce unexplored effects on nearby experiments. Here, this paper explores how photon heating of such an experiment may affect other nearby experiment programs, ultimately serving to better inform decisions regarding experiment design and risks to programmatic goals. The MC21 (Monte Carlo for the 21st Century) code is used to model and study how gamma heat generation rates and axial effects impact different ATR positions. The results reveal that the proximity of a given experiment’s position to the high-fuel-load one can significantly alter that experiment’s expected axial profile.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Quantifying Solar PV Variability at Multiple Timescales for Power Systems Studies: Preprint

Increasing penetration of solar photovoltaics (PV) has concerned power system operators about their ability to balance load and generation over multiple timescales and maintain acceptable frequency profile because of the variability and uncertainty associated with solar PV. This paper focuses on developing metrics to quantify solar PV variability at multiple temporal scales ranging from seconds to an hour to help power system operators and planners better understand and account for solar PV variability under high solar PV penetration. Fourier coefficients of solar irradiation spectrum and average size of solar irradiation ramps over a day are the two metrics that are used to quantity the variability. It is shown that by using the two metrics the days with highest and lowest solar irradiation variability can be identified, which is useful information for operations planning or long-term power system planning studies. The key findings of the paper are (i) single sensor-based variability quantification can significantly exaggerate the variability of a solar PV plant, particularly at seconds to 1-min temporal resolution, (ii) at 1-minute or lower temporal resolutions, single sensor-based variability quantification of an entire plant can be fairly accurate, with the accuracy increasing as the temporal resolution reduces from 1-minute to 1-hour, (iii) at each 1-minute and lower temporal resolutions, maximum solar irradiation ramps appear to be independent of the geographical location of the sensor, and (iv) significant reduction in solar PV plant variability over a region with multiple plants is possible at all temporal scales, but more high quality, high temporal resolution data is needed to quantify the reduction with high confidence.

photovoltaics↗
DOE OSTI2020

IMPACT OF SOIL TEMPERATURE VARIATION ON PERFORMANCE MODELING OF A NOVEL SHALLOW BORE GROUND HEAT EXCHANGER

A novel shallow bore (< 6 m deep) ground heat exchanger is proposed to substitute the conventional vertical bore ground heat exchanger (> 60 m deep) for ground source heat pump systems. A series of simulations were carried out to evaluate the impacts of the vertical soil temperature profile on the performance of the shallow bore ground heat exchanger in response to thermal loads of a ground source heat pump system, with various lengths of the shallow bore ground heat exchanger and ground thermal properties. The results indicate that the vertical soil temperature profile has a noticeable influence on the thermal response of the shallow bore ground heat exchanger. Moreover, for shallow bore ground heat exchangers with the same volume and buried depth, the one with greater length and narrower diameter has lower tank water temperature fluctuations over the year due to relatively more stable soil temperature, and the larger surface to volume ratio.

Shi, Liang↗
DOE OSTI2022

Next Generation System Analysis Model: Recently Added Features and Future Plans

To better enable informed decision-making regarding the back-end of the nuclear fuel cycle, the Integrated Waste Management System (IWMS) program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the development and application of system analysis tools capable of analyzing various system options for the management of spent nuclear fuel (SNF) and high-level radioactive waste (HLW).With these tools, IWMS architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool expressly designed to be capable of modeling features within various IWMS architectures. NGSAM imports data from Oak Ridge National Laboratory (ORNL)’s unified database (e.g., historic assembly information, thermal profiles for assembly heat, and at-reactor dry storage loadings) to ensure that each simulation initializes with a realistic representation of the state of commercial SNF in the U.S. Recent major enhancements implemented into NGSAM in the period since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort car acquisition and buffer car acquisition • The addition of heavy haul truck (HHT) and barge routes for some sites, as well as support for user-defined inter-modal routes • Updates to the logic that checks the transportation cask thermal limit maps prior to package transport • An allocation method that predicts when reactor sites would pack assemblies from their spent fuel pools for dry storage, and prioritizes shipments directly from the pools of those reactor sites in the preceding periods (before the predicted loadings to dry storage), thus reducing the number of casks loaded into dry storage at reactor sites • The addition of “reactor site family” operational limits to restrict the number of loads of SNF taken from the pool and from dry storage at a given reactor site each year • Added support for multiple canister loading map options and packages with multiple compatible transportation overpacks • Updates to the handling of non-commercial SNF, including a new database that contains data to support the updates • Updates to allow analysis of hypothetical scenarios which include repackaging at reactor sites, e.g., for possible comparative analysis with other scenarios • Implementation of additional output reports, or modification of existing ones • The ability to generate and implement user edits via the NGSAM website • The ability to model loading SNF from pool storage at an interim storage facility (ISF) into dry storage at the ISF • The ability to model consolidating SNF from different existing storage containers at a DOE site into the same DOE standard canister • The ability to model transferring SNF casks from one transportation mode to another, e.g., from HHT to rail, referred to as transloading. These new features have improved NGSAM capabilities and users’ experience with the model. Preliminary NGSAM requirements for modeling advanced reactor fuels, reprocessing, treatment, and conditioning were considered, and this paper describes them at a high level. Other nuclear fuel cycle system analysis tools developed under sponsorship of DOE-NE, like the VISION code developed at Idaho National Laboratory, might be better suited for initial high-level analysis of those technologies and advanced fuel cycles. As technologies are developed and system concepts evolve, NGSAM could provide value by providing more detailed modeling of transport, storage, and disposal of spent fuel and wastes from advanced reactors and advanced fuel cycles at the fuel element and waste container level.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

On Road vs. Off Road Low Load Cycle Comparison

Reducing criteria pollutants while reducing greenhouse gases is an active area of research for commercial on-road vehicles as well as for off-road machines. The heavy duty on-road sector has moved to reducing NOx by 82.5% compared to 2010 regulations while increasing the engine useful life from 435,000 to 650,000 miles by 2027 in the United States (US). An additional certification cycle, the Low Load Cycle (LLC), has been added focusing on part load operation having tight NOx emissions levels. In addition to NOx, the total CO2 emissions from the vehicle will also be reduced for various model years. The off-road market is following with a 90% NOx reduction target compared to Tier 4 Final for 130-560 kW engines along with greenhouse gas targets that are still being established. The off-road market will also need to certify with a Low Load Application Cycle (LLAC), a version of which was proposed for evaluation in 2021. Since the LLAC has not been finalized, this study is being conducted to compare and contrast the LLC for on-road with the LLAC for off-road as there might be some shared learnings. A US off-road production 2023 Fiat Powertrain 13L engine and aftertreatment system was chosen for this work. This engine is used in production for both off-road and on-road products, so it is a good choice for this study. The associated off-road aftertreatment system was aged for more relevant comparisons. The engine calibration was not altered for either of the low load cycles. This study shows that the cycles are quite different in nature as the market needs are different. The LLC includes a large fraction of operation at idle and lower speeds, representing products that use the engine primarily for motive power, where lower vehicle speed means a lower engine speed and load. The LLAC has more time and load spent at high speeds and slightly higher loads. The off-road products represented by this cycle often use the engine to drive auxiliary equipment which means higher parasitic loads and hand/fixed throttle. The comparison will include the use profiles, tailpipe NOx and greenhouse gas emissions (CO2, N2O).

McCarthy, James↗
DOE OSTI2021

Exceptionally high spallation strength for a high-entropy alloy demonstrated by experiments and simulations

High-entropy alloys are materials with an increasing number of technological applications. Amongst them, the Cantor alloy, FeMnCoCrNi, shows desirable mechanical properties at normal loading conditions. In this study we focus on the performance of the Cantor alloy at the ultra-high deformation rates of shock waves. We study shock-induced spallation using both experiments and atomistic simulations. Experimental loading is achieved using high power laser, with VISAR to obtain velocity profiles and spall strength, followed by transmission electron microscopy of the recovered samples. Molecular Dynamics (MD) simulations of shock-induced spallation are compared with experiments. Both experiments and simulations show a high spall strength which would be beneficial for certain applications, with experiments giving ~8 GPa at ~10 7 s -1 and MD giving almost ~30 GPa at ~10 9 s -1 . The difference between experiments and simulations can be explained by the difference in strain rate. Post-mortem analysis of the experimental samples shows nanotwins near the spall plane, while MD simulations show a highly disordered region giving rise to void nucleation and spall during loading.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric Vehicle and Infrastructure Systems Modeling in Washington D.C. and Baltimore

This report documents the Argonne-Exelon effort to develop and utilize an agent-based model (ATEAM) of charging demand and infrastructure expansion applicable to the Washington, DC–Baltimore, MD consolidated metropolitan area. This study extends the ATEAM model time horizon to 10 years (from 2020 to 2030), expands agent behavior modeling capabilities, incorporates more granular and extensive empirical data on charging behavior, and analyzes charging needs for a much larger population of PEVs, in keeping with regional goals for significant adoption of ZEVs. With given targets for annual BEV adoption, five scenarios were developed to examine public infrastructure needs and resulting charging load, considering different home charging availabilities, as well as different PEV consumer profiles and public charging infrastructure deployment strategies. Scenario results show that if new chargers (both L2 and DCFC) are spread more widely (as with ubiquitous deployment strategies), there will be less variation in the number of chargers added to each census tract in the study area. More importantly, widespread public charging infrastructure with ubiquitous deployment strategies reduces unmet charging demand and improves charging success, even with heavy reliance on public charging. About 80 percent of BEV drivers can charge on their first attempt in scenarios with ubiquitous deployment strategies. Moreover, widespread public charging infrastructure better meets the demand for more charging, and in return, increases BEV adoption. Low home charging availability produces higher charging loads in public locations, especially during the early morning (around 8:00 a.m.) and late afternoon (around 6:00 p.m.). The evening peak load indicates that drivers are taking advantage of public charging before heading home. Study results also indicate that even with 20 percent home charging availability in 2030, just 20 percent of drivers attempt to charge on a given day. With their relatively high electric range (200+ miles), the BEVs expected to be on the road in 2030 can handle daily commutes without re-charging for a couple of days.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Cache management based on access type priority

Systems, apparatuses, and methods for cache management based on access type priority are disclosed. A system includes at least a processor and a cache. During a program execution phase, certain access types are more likely to cause demand hits in the cache than others. Demand hits are load and store hits to the cache. A run-time profiling mechanism is employed to find which access types are more likely to cause demand hits. Based on the profiling results, the cache lines that will likely be accessed in the future are retained based on their most recent access type. The goal is to increase demand hits and thereby improve system performance. An efficient cache replacement policy can potentially reduce redundant data movement, thereby improving system performance and reducing energy consumption.

Yin, Jieming↗
DOE OSTI2025

Twin nucleation and growth in hexagonal close-packed metals: The role of slip-mediated plasticity on twin embryo formation and evolution

Twinning is a key deformation mechanism in hexagonal close-packed (hcp) metals, which are typified by a lack of easily activated slip systems that can accommodate a general state of loading. Pragmatically, the nucleation and evolution of twin domains occurs concomitantly with slip, such that the eventual twin network is conditioned by both external and internal stresses resulting, among others, from the evolution of dislocations. However our understanding of the interplay between dislocations, and twin nucleation and stability remains limited. This work focuses on elucidating the influence of dislocation-mediated plasticity on the formation, growth, and stability of twin embryos. First, a new mesoscale spectral crystal plasticity-twinning framework is developed and used to quantify the change in the free energy landscape following the nucleation {$10\bar{1}2$} of twins in Mg. Representative twin morphologies are modeled under conditions of limited and profuse slip activity, which are emulative of small- and bulk-scale samples, respectively. Then, the driving traction profiles around twin embryos are investigated via a sharp interface approach to obtain insights into how concurrent slip-mediated plasticity can influence the growth/stabilization of nanometric twins. The driving traction profiles are further utilized to determine the stability of twin embryos post loading. The initial dislocation density in the samples, and within the different domains (i.e., twin vs. parent), is seen to have a significant effect on the twin nucleation stress. Namely, the activation of high levels of concomitant plasticity in the parent grain is seen to significantly drive the formation of nanometric twin nuclei at stresses as low as 250 MPa. Further, the sharp interface analysis reveals that profuse plasticity in the parent grain simultaneously alters the forward and back stresses, such that the magnitude/polarity of the driving tractions become increasingly favorable for nanometric twin growth when slip is active. Finally, prior plasticity in the parent grain is seen to result in favorable driving tractions for nanometric twin growth, even at applied stresses as low as ~ 100 MPa. In conclusion, these results are in stark contrast to a case without any dislocations, wherein applied stresses as high as ~ 500 MPa are necessary to grow the twin domains.

36 MATERIALS SCIENCE↗