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MTS manager for retrieving files from MyEMSL; The MyEMSL MTS File Cache Manager is a part of PRISM, the Proteomics Research Information and Management System. The software processes the MyEMSL Download Queue in the Mass and Time Tag System (MTS) to download files required for processing.
Here, we present a comparison of the Kinetic Activation–Relaxation Technique (k-ART) and the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC), two off-lattice, on-the-fly Kinetic Monte Carlo (KMC) techniques that were recently used to solve several materials science problems. We show that if the initial displacements are localized the dimer method and the Activation–Relaxation Technique nouveau provide similar performance. We also show that k-ART and SEAKMC, although based on different approximations, are in agreement with each other, as demonstrated by the examples of 50 vacancies in a 1950-atom Fe box and of interstitial loops in 16,000-atom boxes. Generally speaking, k-ART’s treatment of geometry and flickers is more flexible, e.g. it can handle amorphous systems, and rigorous than SEAKMC’s, while the later’s concept of active volumes permits a significant speedup of simulations for the systems under consideration and therefore allows investigations of processes requiring large systems that are not accessible if not localizing calculations.
The paper studies an approximate static condensation method for the diffusion problem with discontinuous diffusion coefficients. The method allows for a general polygonal mesh which is unfitted to the material interfaces. Moreover, the interfaces can be discontinuous across the mesh edges as typical for numerical reconstructions using the volume or moment-of-fluid methods. We apply a mimetic finite difference method to solve local diffusion problems and use P 1 (mortar) edge elements to couple local problems into the global system. The condensation process and the properties of the resulting algebraic system are discussed. It is demonstrated that the method is second order accurate on smooth solutions and performs well for problems with high contrast in diffusion coefficients. Experiments also show the robustness with respect to position of the material interfaces against the underlying mesh.
We propose a reaction-diffusion system that converts topological information of an active nematic into chemical signals. We show that a curvature-activated reaction dipole is sufficient for creating a system that dynamically senses topology by producing a concentration field possessing local extrema coinciding with ±$\frac{1}{2}$ defects. The enabling term is analogous to polarization charge density seen in dielectric materials. We demonstrate the ability of this system to identify defects in both passive and active nematics. Our results illustrate that a relatively simple feedback scheme, expressed as a system of partial differential equations, is capable of producing chemical signals in response to inherently nonlocal structures in anisotropic media. Here, we posit that such coarse-grained systems can help generate testable hypotheses for regulated processes in biological systems, such as morphogenesis, and motivate the creation of bio-inspired materials that utilize dynamic coupling between nematic structure and biochemistry.
In 2014, the United States Department of Defense started transitioning the way it performs risk management and accreditation of information systems to a process entitled Risk Management Framework for DoD Information Technology or RMF for DoD IT. There are many more security and privacy controls (and control enhancements) from which to select in RMF, than there were in the previous Information Assurance process. This report is an attempt to clarify the way security controls and enhancements are selected. After a brief overview and comparison of RMF for DoD IT with the previously used process, this report looks at the determination of systems as National Security Systems (NSS). Once deemed to be an NSS, this report addresses the categorization of the information system with respect to impact levels of the various security objectives and the selection of an initial baseline of controls. Next, the report describes tailoring the controls through the use of overlays and scoping considerations. Finally, the report discusses organization-defined values for tuning the security controls to the needs of the information system.
Modern computing systems are capable of exascale calculations, which are revolutionizing the development and application of high-fidelity numerical models in computational science and engineering. While these systems continue to grow in processing power, the available system memory has not increased commensurately, and electrical power consumption continues to grow. A predominant approach to limit the memory usage in large-scale applications is to exploit the abundant processing power and continually recompute many low-level simulation quantities, rather than storing them. However, this approach can adversely impact the throughput of the simulation and diminish the benefits of modern computing architectures. We present three novel contributions to reduce the memory burden while maintaining, and sometimes improving, performance in simulations based on finite element discretizations. The first contribution develops dictionary-based data compression schemes that detect and exploit the structure of the discretization, due to redundancies across the finite element mesh. While these schemes are shown to reduce memory requirements by more than 99% on meshes with large numbers of identical mesh cells, there are applications where this structure does not exist. The second contribution leverages a recently developed augmented Lagrangian optimization algorithm to enable r-adaptivity for meshes with the goal of enhancing the redundancies in the mesh. The third contribution extends these methods to patch-based linear solvers and preconditioners by compressing local matrices. Numerical results demonstrate the effectiveness of the proposed methods to detect, enhance and exploit mesh structure on a suite of examples inspired by large-scale applications.
The invention entails a firmware and software that is a digital communication architecture for multichannel readout electronics with fast ADCs. In addition, the invention provides a framework for real time digital signal processing of radiation detector electronic signals in FPGA.
A Tank-Side Cesium Removal (TSCR) system is under development by Washington River Protection Solutions to support initial production of immobilized low-activity waste (LAW) by feeding Hanford tank supernate from tank farms to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW Facility. Tank waste supernate will be filtered to remove suspended solids and then Cs will be removed by processing it through crystalline silicotitanate (CST) ion exchange media manufactured by Honeywell UOP, LLC. The Cs-loaded CST columns will be stored indefinitely, with a goal of eventual CST removal and treatment. Thus, the spent CST needs to be recoverable after undetermined storage time. Previous testing with AP-105 simulant showed that rinsing the CST bed with 3 bed volumes (1.4 apparatus volumes [AVs]) of 0.1 M NaOH resulted in a dried bed that maintained flow characteristics indicative of ease of recovery. This study explored the intermediate conditions (between feed dried in place and the 1.4 AVs of 0.1 M NaOH rinse) to evaluate CST bed properties after: 1) stoppage with feed in place; 2) stoppage after draining feed; 3) stoppage after 0.7 AV of 0.1 M NaOH rinse through column; 4) stoppage after 1.5 AVs of 0.1 M NaOH rinse through column. Post processing, each column was heated at 50 °C for 19 days under pseudo-storage conditions to simulate the expected dried and stored CST bed conditions. Testing was conducted at the small scale (12-mL bed volume); actual, Cs-depleted, AP-105 tank waste was used as the feed. Post-dried CST bed physical properties (angle of repose and penetration depth) were measured to evaluate how CST moved and flowed. All process stop-conditions resulted in a solidified CST bed except for the final condition, 1.5 AVs of 0.1 M NaOH rinse. At this small scale, the three CST beds presented an issue for retrievability after the short storage period (19 days at 50 °C). The latter case confirmed the results from simulant testing. The testing was intended to provide a preliminary assessment of issues that may arise from desiccation of CST during storage with the indicated salt solutions in place. Since these were small-scale tests, the processing system did not scale to full scale conditions exactly; however, the tests did provide insight into the impact on the dried and stored CST bed after stopping processing at an earlier step (upset condition) than normal. These results indicate that if an upset condition occurs at TSCR, a dilute hydroxide rinse should be considered before the CST dries from internal heating.
Block polymers (BPs) are ideal building blocks for nanoporous membranes, microelectronics templates, energy storage devices, and other technologies. For these systems, precise control over morphology, properties, and processability are essential to optimize performance. The Epps group has used a multidisciplinary approach to control BP nanostructure ordering and orientations, order-disorder and glass transition temperatures, and mechanical and transport properties through the informed manipulation of BP effective segregation strengths and interfacial energetics. For example, alterations in macromolecular interactions between BP chains were achieved through the introduction of composition gradients between copolymer blocks or by adding dopants. In thin films, high-throughput approaches were designed to modify and characterize substrate-polymer interactions, and solvent annealing techniques were developed to facilitate nanoscale alignment and ordering. Finally, by manipulating BP interfacial energetics to gain exquisite tunability of nanostructures and materials' properties, the group is accelerating the development of next-generation BPs that will be harnessed to fabricate inexpensive, efficient, and high-performance devices.
The objective of this effort is to identify materials and manufacturing technology that will allow the rapid construction and evaluation of computer modeled advanced reactor system designs to process specific carbon feedstock materials. Before full scale reaction systems can be built, prototypes need to be constructed and operated to validate the proposed new system performance against target criteria. The first steps, however, are to understand what type of materials are needed that can withstand the targeted process environments and determine how structures using those materials can be built. A wide range of reaction vessel conditions may exist in the processes being considered that could involve temperatures up to 1200°C, abrasive materials (high velocity coal and coal ash), different carbon feedstock materials (coal, biomass, and process wastes such as petcoke), corrosive and oxidizing/reducing gases, different material phases (solid, liquid, and gas), cyclic temperatures, microwave energy, customized vessel construction material needs (process stability, cost, weight, and compatibility with other materials), along with other known/unknown variables – all of which must be considered in selecting materials and considering manufacturing processes. The current focus of the research is to develop a reaction vessel sidewall structure consisting of a metal outer support and an inner ceramic (or cermet) protective surface. Ceramic coatings are desired because of their good corrosion and wear resistance, and because they are the material of choice to reduce metal shell temperature in high temperature processes. However significant property mismatches between metals and ceramics have been a roadblock to the joining of metals and ceramics.
The main objective of this research is to provide novel insights into the effects of permitting, inspection, and interconnection (PII) processes on PV system installations—and in particular, into the relationship between PII processes and adoption timelines. This research can then be used to clarify the potential effect of various process changes on reducing PII timelines, customer cancellation rates, and related costs nationwide. NREL completed this research by assembling a data set of distributed, largely residential rooftop solar systems less than 50 kilowatts in size from participating solar installers. NREL produced five publications describing the effects that PII processes can have on adoption timelines nationwide, in addition to publishing an interactive data viewer with five years of PII cycle time data. This tool can be used by stakeholders to identify potential adoption timelines by local government.
Idaho National Laboratory is designing and constructing a solvent extraction test bed, Beartooth, as part of a nuclear fuel cycle stewardship initiative. The test bed will provide facilities and equipment for testing novel extraction processes and give early career scientists opportunities to gain skills in performing separations chemistry. The test bed is being uniquely designed to enable machine learning capabilities for the characterization of chemical process operations. One of the intentions of incorporating machine learning methods is to provide process operators with enhanced situational awareness for the optimization of separations techniques and possible detection of a diversion event. As a result, the objective of this Laboratory Directed Research and Development project is to develop a multi-sensor data collections system and implement machine learning techniques on signals from an existing centrifugal contactor cascade to identify equipment usage and process events. This presentation will provide an overview of sensors used and experiments conducted to date.
A method with corresponding systems for reducing emission of amines to the atmosphere. The method includes a a) introducing a gas containing CO 2 into an absorber; b) flowing the flue gas through an absorber having an absorbent with a water-lean solution having less than 50% water and one or more amines, with the absorbent capturing the CO 2 and forming a reduced CO 2 content gas having a baseline CO 2 content; and c) washing the reduced CO 2 content gas in a wash column with a wash solution comprising carbonic acid formed by addition of gaseous CO 2 into the wash solution. In this method, the washing removes the amines from the reduced CO 2 content gas and produces a reduced amine content gas exiting from the wash column.
This article aims to optimize specific castings, characterized as an element of the continuous track for armored vehicle. During the primary melts, defects in the form of oxide films and shrinkage porosity occurred. Steel 20ChGSNM described by the Russian GOST standard was used as a batch material, and the investment casting method was selected for production. To eliminate the above-mentioned defects, only changes in the gating system were allowed, because the interference with an ongoing production regarding technical and technological parameters was unacceptable by the manufacturer. Numerical simulation, x-ray, macro-structural and micro-structural analysis were used during the optimization process. The three variants were analyzed, and the achieved results demonstrated that it is possible to significantly affect the casting internal homogeneity by modifying the gating system individual parts. The final variant ensured a decrease in defects by up to 90% and the production of casting having the quality required by the customer.
The Hall B 3.6-T superconducting torus magnet is being designed and built as part of the Jefferson Lab 12-GeV upgrade. The magnet consists of six trapezoidal coils connected in series, with an operating current of 3770 A. The magnet and the joints (or splices) connecting the coils are all conduction cooled by supercritical 4.6-K helium. This paper studies the design and manufacturing process of the splices made between two SSC Rutherford-type cables and discusses the tests performed to evaluate the performance of the splices under varying incident magnetic fields.
As of the end of 2021, 88,880 metric tons of heavy metal (MTHM) (44,741 MTHM in dry storage; 44,139 MTHM in wet storage) of spent nuclear fuel (SNF) were stored at various reactor sites across the United States [1]. The Office of Storage and Transportation in the Department of Energy is planning for the transportation, storage, and eventual disposal of SNF and high-level radioactive waste (HLW). To aid in this effort and inform decision-makers about the backend of the spent fuel cycle, systems analysis tools capable of analyzing the various options with respect to SNF and HLW management are being used as well as continuously improved to meet the evolving needs of the program. System analysts typically use these tools to vary underlying assumptions (shipping rates, allocation priority, available facilities, start dates, etc.) and study the implications of these changes on site clearance schedules, campaign costs, transportation infrastructure acquisition, etc.
The performance gap between magnetic disks and data processing on HPC systems has become that huge that an efficient data processing can only be achieved by introducing non-volatile memory (NVRAM) as a new storage tier. Although the benefits of hierarchical storage have been adequately demonstrated to the point that the newest leadership class HPC systems will employ burst buffers, critical questions remain for supporting hierarchical storage systems, including: How should we present hierarchical storage systems to user applications, such that they are easy to use and that application code is portable across systems? How should we manage data movement through a storage hierarchy for best performance and resilience of data? How do the particular I/O use cases mandate the way we manage data? There have been many efforts to explore this space in the form of file systems, with increasingly more implemented at the user level. This is because it is relatively easy to swap in new, specialized user-level file systems for use by applications on a case-by-case basis, as opposed to the current mainstream approach of using general-purpose, system-level file systems which may not be optimized for HPC workloads and must be installed by administrators. In contrast, file systems at the user level can be tailored for specific HPC workloads for high performance and can be used by applications without administrator intervention. Many user-level file system developers have found themselves “having to reinvent the wheel” to implement various optimizations in their file systems. Thus, a main goal of this meeting was to bring together experts in I/O performance, file systems, and storage, and collectively explore the space of current and future problems and solutions for I/O on hierarchical storage systems in order to begin a community effort in enabling user-level file system support for HPC systems. We had a lively week of learning about each other’s approaches as well as unique I/O use cases that can influence the design of a community-driven file and storage system standards. The agenda for this meeting contained talks from participants on the following high level topics: HPC storage and I/O support today; what do HPC users need for I/O; existing userlevel file system efforts; object stores and other alternative storage systems; and components for building user-level file systems. The talks were short and intended to be conversation starters for more in-depth discussions with the whole group. The participants engaged in lengthy discussions on various questions that arose from the talks including: Are we ready to program to a memory hierarchy versus block devices? Are the needs of HPC users reflected in our existing file systems and storage systems? Should we drop or keep POSIX moving forward? What do we mean when we say “user-level file system”? Do we all mean the same thing? How should the IO 500 benchmark be defined so it is fair and useful? and How are stage-in and stage-out actually going to work? The report for this seminar contains a record of the talks from the participants as well as the resulting discussions. Our hope is that the effort initiated during this seminar will result in long-term collaborations that will benefit the HPC community as a whole.
Scrambling, the delocalization of initially localized quantum information, is commonly characterized by the out-of-time-ordered correlator (OTOC). Employing the OTOC–Renyi-2 entropy theorem, we derive a quantum speed limit for the OTOC, which sets a lower bound for the rate with which information can be scrambled. This bound becomes particularly tractable by describing the scrambling of information in a closed quantum system as an effective decoherence process of an open system interacting with an environment. We prove that decay of the OTOC can be bounded by the strength of the system-environment coupling and two-point environmental correlation functions. We validate our analytic bound numerically using the nonintegrable transverse field Ising model. Furthermore, our results provide a universal and model-agnostic quantitative framework for understanding the dynamical limits of information spreading across quantum many-body physics, condensed matter systems, and engineered quantum platforms.