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Chapter 6 reviews the current status of resolving the phonon mean free path distribution in real materials from both the computational and experimental perspectives, which is essential for engineering materials at the nanoscale to achieve desirable thermal transport properties.
Examples disclosed herein relate to path-synchronous performance monitoring of an interconnection network based on source code attribution. A processing node in the interconnection network has a profiler module to select a network transaction to be monitored, determine a source code attribution associated with the network transaction to be monitored, and issue a network command to execute the network transaction to be monitored. A logger module creates, in a buffer, a node temporal log associated with the network transaction and the network command. A drainer module periodically captures the node temporal log. The processing node has a network interface controller to receive the network command and mark a packet generated for the network command to be temporally tracked and attributed back to the source code attribution at each hop of the interconnection network traversed by the marked packet.
We present an optimized Floyd-Warshall (Floyd-Warshall) algorithm that computes the All-pairs shortest path (APSP) for GPU accelerated clusters. The Floyd-Warshall algorithm due to its structural similarities to matrix-multiplication is well suited for highly parallel GPU architectures. To achieve high parallel efficiency, we address two key algorithmic challenges: reducing high communication overhead and addressing limited GPU memory. To reduce high communication costs, we redesign the parallel (a) to expose more parallelism, (b) aggressively overlap communication and computation with pipelined and asynchronous scheduling of operations, and (c) tailored MPI-collective. To cope with limited GPU memory, we employ an offload model, where the data resides on the host and is transferred to GPU on-demand. The proposed optimizations are supported with detailed performance models for tuning. Our optimized parallel Floyd-Warshall implementation is up to 5x faster than a strong baseline and achieves 8.1 PetaFLOPS/sec on 256~nodes of the Summit supercomputer at Oak Ridge National Laboratory. This performance represents 70% of the theoretical peak and 80% parallel efficiency. The offload algorithm can handle 2.5x larger graphs with a 20% increase in overall running time.
Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era.This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.
A graphics processing unit and methods for comping and executing instructions with opportunistic inter-path reconvergence are provided. A graphics processing unit may access computer executable instructions mapped to code blocks of a control flow for a warp. The code blocks may include an immediate dominator block and an intermediate post dominator block. The graphics processing unit may store a first thread mask associated with the first code block. The first thread mask may include a plurality of bits indicative of the active or non-active status for the threads of the warp, respectively. The graphics processing unit may a second thread mask corresponding to an intermediate code block between the immediate dominator block and intermediate post dominator block. The graphics processing unit may execute, with threads indicated as active by the first thread mask, instructions of the intermediate code block with a first operand or a second operand depending on the second thread mask.
This presentation shares unique qualities of INL that allow the lab to take ideas from a concept all the way to at-scale demonstrations. This framework is discussed in the context of the INL initiative, "Securing the Path to Net Zero."
The Tuba City, Arizona, Disposal Site is located in the Navajo Nation and near the Hopi Reservation. A uranium mill operated at the site from 1956 to 1966. During the operational period, mill tailings were slurried to an unlined impoundment. Excess slurry water was transferred to unlined evaporation ponds. Groundwater contamination resulting from the infiltration of fluids in the mill tailings impoundment and evaporation ponds was characterized in the 1990's. The site's Groundwater Compliance Action Plan was prepared in 1999, and a groundwater extraction and treatment system was constructed in 2002. Issues with aquifer productivity and treatment plant reliability led to the suspension of operations in 2014. The limitations of the remediation system prompted a realization that the site conceptual model should be reevaluated. An integrated study to better understand the geochemical and hydrologic factors affecting contaminant transport, to support the development of a new groundwater compliance strategy, was initiated in 2017 and is ongoing. In addition to the groundwater science components, the study included the evaluation of enhanced evaporation methods. The integrated evaluation will lead to refinement of the site groundwater flow model and development of a contaminant transport model and subsequent development of remedial alternatives. Remedial alternatives will be evaluated to determine a new groundwater compliance strategy. The objectives of geochemical testing were to confirm and quantify geochemical reactions controlling uranium fate and transport. These reactions are important because they control the distribution of uranium on the solid phase; potential for release from the solid phase; mobility of uranium in the water phase; and potential for uranium redistribution onto the currently uncontaminated solid phase. A key outcome is the change in understanding of the mass of uranium in the subsurface that is potentially soluble. These results contradict the previous basis for remediation: that uranium was almost exclusively present in soluble form, within the boundaries of the contaminant plume. Testing showed that uranium sorption downgradient from the plume was measurable but relatively minimal. The movement of other mill-related constituents (nitrate, sulfate, alkalinity) results in the dissolution of naturally occurring uranium and a higher than background concentration of uranium in groundwater. These constituents are not subject to sorption, and their downgradient concentrations are reduced only by diffusion and dispersion. The geochemical testing provides conceptual and quantitative information on potential plume migration. While the testing revealed the potential availability of uranium contaminant sources, the aquifer buffering capacity, pH, and presence of oxygen in groundwater may, individually or in combination, be controlling factors for plume movement. Evaluation of evaporative treatment alternatives was undertaken to determine one or more sustainable and efficient methods capable of treating 151 liters per minute (L/min) (40 gallons per minute), the annual average flow rate. In addition to establishing the baseline capacity for evaporation using the site's existing pond, prospective methods of enhanced evaporation included preheating water before inflow to the evaporation pond, vertical circulation in the pond, dye addition, and Wind-Aided Intensified Evaporation. Consideration of a 151 L/min evaporative treatment arose from previous analysis of extraction well production rates and contaminant mass removal, which indicated that about 80% contaminant removal, relative to full-scale operation of the site's groundwater treatment plant, could be achieved with a smaller capacity system. The lower-flow evaporative option also represented a potentially more sustainable treatment system in comparison to restarting or reconfiguring the groundwater treatment plant. Aquifer pumping tests were designed to develop or improve estimates of hydraulic properties such as transmissivity, horizontal and vertical hydraulic conductivity, storativity, and storage coefficient. Testing involved pumping from one well at a constant flow rate for up to 5 days while monitoring groundwater drawdown in the pumping well and five surrounding wells and then shutting down the pumping well to observe groundwater recovery. The aquifer pumping test results provide insight regarding the hydraulics of the saturated zone. The saturated zone is in a low-conductivity formation with preferential flow in the horizontal direction. The aquifer exhibits low vertical conductance. The use of AQTESOLV software indicates that the saturated zone is a layered system due to the cross-bedded sand-grain orientation within the Navajo Sandstone. These indicators of limited vertical flow provide a potential justification for the observed depth of the contaminant plume of 15-46 meters (50-150 feet) below ground surface). Given the relatively low vertical conductance, groundwater extraction should be focused on the upper portions of the saturated zone. Aquifer response testing provided an improved understanding of aquifer characteristics. However, the primary objective, to identify optimal groundwater extraction strategies, has not been fully addressed. A list of path forward activities for hydrologic analyses was developed, with an overarching objective of providing input parameters for groundwater flow and contaminant transport modeling. Defensible predictions of contaminant transport, through modeling, are critical to the development of a new site groundwater compliance strategy. (authors)
Hazardous waste is a threat to human health and the environment and must be managed and disposed of properly. A Solid Waste is defined as any material (solid, liquid, containerized gas) which has been discarded, abandoned (no longer needed), or recycled. The Resource Conservation Recovery Act (RCRA) is a law that creates the framework for the proper management of solid waste. Under RCRA, EPA has developed a program which ensures hazardous waste is managed safely from the moment it is generated to its final disposal (cradle-to-grave)2. To educate about how waste is handled at the Savannah River Research Campus (SRRC) under RCRA, the path it takes from point of generation (cradle) to disposal (grave), and the responsibilities of every person involved in the process. Researcher or other laboratory personnel that generates waste as a result of their work Responsibilities: - Fill out inventory log sheet and corresponding container sheet which includes the constituents of the waste; - Properly label waste container with SAA/WSA ID no., generator's name, what it is, the hazards, and date; - Place waste in designated waste storage area. Laboratory Custodian Responsibilities: - Ensures waste is handled and stored properly; - Ensures inventory is updated; - Ensures all container sheets are completed; - Ensures only authorized personal have access to waste storage areas. Environmental Compliance Authority Responsibilities: - Develops waste procedures; - Provide waste training; - Inspects for improperly handled waste; - Establishes or closes waste storage areas as needed; - Determines if waste can be recycled; - Determines if waste is RCRA hazardous: Is it U or P listed? - Unused commercial chemical products; Is it F listed - Spent solvents; Is it characteristic? - Flammable/Oxidizer, Corrosive, Reactive, Toxic; - Weighs waste to ensure laboratory has not exceeded its monthly or total storage limits; - Maintains waste records; - Determines how waste should be disposed: Trash - Nonhazardous solids; Drain - Nonhazardous Liquids; Labpack; - Prepares waste for shipment with Vendor and Department of Transportation (DOT) personnel. Packages, Transports, and Treats Hazardous Waste Responsibilities: - Must be EPA permitted and approved by the Department of Energy - Picks up hazardous waste for transport to a treatment, storage or disposal facility depending on waste disposal requirements - Must meet all Department of Transportation regulations for transporting hazardous waste - Dispose of waste according to RCRA regulations. Due to the potential risks to human health and the environment, waste must be handled safely through the chain of possession from cradle to grave. To ensure proper handling, there are many safety checks as required by RCRA and DOT regulations. This includes proper labeling, inventory, and characterization to ensure all hazards are known, inspections by the Custodian, ECA, and the state regulator (SCDHEC), and transportation verifications and manifesting. One of the best ways to reduce the risks that waste presents is to minimize or eliminate the creation of waste. This can be accomplished through source reduction which includes: Inventory control, material substitution, process modification, improved housekeeping, and preventative maintenance and recycling.
The shielding surrounding the spallation target and the neutron flight paths at the Los Alamos Neutron Science Center Weapons Neutron Research facility is simulated using a detailed MCNPX Monte Carlo model to determine neutron and γ-ray backgrounds in the experimental areas. In some cases the shielding needs to be modified depending on the requirements of planned experiments. (authors)
In the modern digital economy, data-driven decision making is crucial for effectively meeting the ever-evolving demands of consumer engagement and satisfaction. Clickstream data has become invaluable for understanding customer behavior, yet concerns over privacy and security persist, especially with some internet service providers profiting from its sale. This article introduces an innovative methodology that blends experiential learning with advanced cryptographic techniques, including differential privacy and graph analytics. The core objective of this methodology is to estimate Customer Lifetime Value (CLV) by analyzing clickstream data, achieving an average prediction accuracy of 92.4% in user engagement levels while ensuring user anonymity through Recency, Frequency, and Monetary (RFM) analysis. Our study introduces the concept of a “data depositor” and a privacy manager, employing the composition theorem to merge non-adaptive queries effectively. Privacy budgets (? = 1.0, d = 10-5), sensitivity-specific techniques, and data partitioning were applied. Randomization and noise addition protect data integrity, with special handling for categorical values. This approach, differing from prior studies, offers a 12.6% improvement in privacy-preserving targeting accuracy while maintaining strict confidentiality, presenting a novel path forward in data-driven decision-making.
The "scratched tape" stray light feature is the most prominent and prevalent stray light artifact identified during the commissioning of the Vera C. Rubin Observatory. The scratched tape feature originates when light from large off-axis angles (~20 deg) passes between the mid-level and center-section light baffles, reflects off the primary mirror, and illuminates the LSST Camera focal plane. This scenario represented an unobstructed stray light path to the sky during Rubin commissioning due to delays in the integration of the dome slit light-wind screen. This document describes the identification, modeling, characterization, and mitigation of the scratched tape stray light artifact.
Model-free control (MFC) offers a simple and effective approach to automated vehicle path-tracking without requiring an explicit plant model for control law design. However, gain tuning in MFC is typically carried out through trial-and-error, which can be time-consuming and may lead to suboptimal performance. To address this limitation, extremum-seeking-based adaptive MFC has shown promise by enabling real-time adaptation of control gains, without relying on a predefined vehicle model. Nonetheless, existing ESC approaches often suffer from slow convergence. This paper integrates MFC, employing longitudinal and lateral ultra-local models of a rear-wheel-drive vehicle, with a novel prescribed-time (PT) Newton-based extremum-seeking control (ESC) strategy that ensures rapid convergence of control gains within the prescribed time. Unlike conventional gradient-based ESC methods, the PT Newton-based ESC leverages artificial delays and time-periodic gains, not only to guarantee convergence within the specified time, but also to compensate for feedback delays. Simulation results demonstrate that the proposed approach significantly improves gain adaptation speed and tracking accuracy. This work advances adaptive model-free vehicle control by offering a high-performance, delay-resilient alternative to existing ESCMFC frameworks.
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Metal-cluster surfaces present a wide variety of unique coordination environments. This complexity makes it difficult to manually probe the surface reactivity of such clusters. Here, we present a simple and automated method to systematically discover reaction pathways on cluster surfaces, based on the automated cluster surface scanning (ACSS) technique for mapping out potential energy surfaces. We showcase our method on 55-atom icosahedral Cu and Ag clusters, where we determine the activation energies of four elementary steps common in heterogeneous catalysis – hydrogen recombination (H* + H* → H 2 * + *), oxygen recombination (O* + O* → O 2 * + *), water formation (OH* + H* → H 2 O* + *), and CO oxidation (CO* + O* → CO 2 * + *) – with density functional theory calculations (DFT-PBE + D3). We show that the ACSS method requires significantly less human effort than the established manually performed climbing-image nudged elastic band (MP + CI-NEB) technique and locates transition states with comparable accuracy (root-mean-squared error of 0.10 eV) and similar computational cost. Rigorous sampling of the potential energy surface with the ACSS method allows one to locate all lowest-energy reaction pathways obtained via the MP+CI-NEB approach, as well as alternative pathways that one may have missed with the MP+CI-NEB approach due to the many possible pathways available on these clusters. The accuracy and efficiency afforded by the ACSS method could enable high-throughput exploration of the diverse reactivity of metal clusters.
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This paper presents a graph-based forward looking algorithm applied to distribution planning in the context of distributed photovoltaic penetration. We study the target hosting capacity problem where the objective is to find the least-cost sequence of system upgrades to reach a predefined hosting capacity target value. We show that commonly used short-term cost minimization approaches often lead to suboptimal long-term solutions. By comparing our method against such myopic techniques on real distribution systems, we show that our algorithm is able to reduce the overall integration costs by looking at future decisions. Because hosting capacity is hard to compute, this problem requires efficient methods to search the space. We demonstrate that heuristics using domain-specific knowledge can be efficiently used to improve the algorithm performance, such that real distribution systems can be studied.
Multiple scattering and finite detector bandwidth effects on shape of absorption features in atmospheric scattering