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At least 163 records · Page 9

Noisy intermediate-scale quantum algorithms

A universal fault-tolerant quantum computer that can efficiently solve problems such as integer factorization and unstructured database search requires millions of qubits with low error rates and long coherence times. While the experimental advancement toward realizing such devices will potentially take decades of research, noisy intermediate-scale quantum (NISQ) computers already exist. These computers are composed of hundreds of noisy qubits, i.e., qubits that are not error corrected, and therefore perform imperfect operations within a limited coherence time. In the search for achieving quantum advantage with these devices, algorithms have been proposed for applications in various disciplines spanning physics, machine learning, quantum chemistry, and combinatorial optimization. The overarching goal of such algorithms is to leverage the limited available resources to perform classically challenging tasks. In this review, a thorough summary of NISQ computational paradigms and algorithms is provided. The key structure of these algorithms and their limitations and advantages are discussed. Finally, a comprehensive overview of various benchmarking and software tools useful for programming and testing NISQ devices is additionally provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-E-T-312: Dosimetric Consideration for the Agility MLC When Planning Rotational SRT/SBRT Treatments

Purpose: To analyze the radiation transmission of the Agility MLC and make recommendation based on the MLC dosimetric characteristics for SRT, SBRT and VMAT planning Method and Materials: Agility MLC is the newest model from Elekta and has no back up diaphragm behind leaves for this generation. Leaves are single focused with rounded end; composed of leafs each 0.5cm wide, 9cm thick, constructed from tungsten alloy and provide low transmission <0.5%. Total radiation transmission from leaves and diaphragm is <0.13%. A 360degree arc was generated using iCom tools; leaves were programmed closed while keeping the diaphragm fully open to maximize the MLC transmission effect. Gafchromic EBT films were sandwiched between 4cm of solid water and situated at midplane to take dose measurement. 5000MU was delivered using 6MV VersaHD, various collimator angles, and a 5cm central axis offset was tested also. Films were scanned with Epson 10000XL scanner and analyzed using DoseLab Pro. Results: Due to the rounded leaf end and nature of rotation therapy, dose accumulation through the leaf gap is significant. By offsetting the leaf gap from central axis, this accumulation can be greatly reduced. There are dark bands showing accumulation of interleaf transmission which is improved by increasing collimator angle from 0 to 45dgree. However for 45 degree, in most cases, there are larger volumes sweeping under MLC alone, which needs considered planning. Conclusions: While inter-leaf leakage is minimized by using collimator angles greater than 0 degrees, the location of the leaf gap must also be managed. The leaf gap position becomes critically important when the treatment area is off axis such is the case when more than one PTV is being treated. With VMAT for SRT, SBRT becoming a more popular planning technique, special attention needs to be paid when initially setting up the field geometry.

60 APPLIED LIFE SCIENCES↗

MUPPET: An automated OpenMP mutation testing framework for performance optimization

MUPPET is a tool for OpenMP programs that identifies program modifications, called mutations, aimed at improving program performance. Existing performance optimization techniques, including profiling-based and auto-tuning techniques, fail to indicate program modifications at the source level thus preventing their portability across compilers. MUPPET aims to help HPC developers reason about performance defects and missed opportunities to improve performance at the source code level.

Parasyris, Konstantinos↗

Yeast Transformation on Hamilton Vantage (YT Vantage) v1

Our software program is designed for the Hamilton Vantage liquid handling robot, automating the Build step in the Design-Build-Test-Learn (DBTL) cycle for Saccharomyces cerevisiae. This program minimizes human intervention, enabling rapid identification of pathway bottlenecks and genes that enhance verazine production. The program takes competent yeast and plasmid DNA as input and generates an output library of engineered strains compatible with automated colony picking, high-throughput culturing, and chemical extraction for downstream LC-MS analysis. A user-friendly interface, developed using the Hamilton Method Editor software, allows for on-demand parameter customization. By automating this process, our program streamlines the construction of Saccharomyces cerevisiae, reducing manual labor and increasing efficiency. While the manual process is well-documented, integration with robotic automation is less common, making our program a valuable tool for researchers. With this software, we achieved 2-5 fold increases in verazine production, demonstrating its potential to accelerate research in this field.

Louie, Randy [Lawrence Berkeley National Laborator↗

Modeling and Evaluation of Geophysical Methods for Monitoring and Tracking CO2 Migration

Geological sequestration has been proposed as a viable option for mitigating the vast amount of CO 2 being released into the atmosphere daily. Test sites for CO 2 injection have been appearing across the world to ascertain the feasibility of capturing and sequestering carbon dioxide. A major concern with full scale implementation is monitoring and verifying the permanence of injected CO 2 . Geophysical methods, an exploration industry standard, are non-invasive imaging techniques that can be implemented to address that concern. Geophysical methods, seismic and electromagnetic, play a crucial role in monitoring the subsurface pre- and post-injection. Seismic techniques have been the most popular but electromagnetic methods are gaining interest. The primary goal of this project was to develop a new geophysical tool, a software program called GphyzCO2, to investigate the implementation of geophysical monitoring for detecting injected CO 2 at test sites. The GphyzCO2 software consists of interconnected programs that encompass well logging, seismic, and electromagnetic methods. The software enables users to design and execute 3D surface-to-surface (conventional surface seismic) and borehole-to-borehole (cross-hole seismic and electromagnetic methods) numerical modeling surveys. The generalized flow of the program begins with building a complex 3D subsurface geological model, assigning properties to the models that mimic a potential CO 2 injection site, numerically forward model a geophysical survey, and analyze the results. A test site located in Warren County, Ohio was selected as the test site for the full implementation of GphyzCO2. Specific interest was placed on a potential reservoir target, the Mount Simon Sandstone, and cap rock, the Eau Claire Formation. Analysis of the test site included well log data, physical property measurements (porosity), core sample resistivity measurements, calculating electrical permittivity values, seismic data collection, and seismic interpretation. The data was input into GphyzCO2 to demonstrate a full implementation of the software capabilities. Part of the implementation investigated the limits of using geophysical methods to monitor CO 2 injection sites. The results show that cross-hole EM numerical surveys are limited to under 100 meter borehole separation. Those results were utilized in executing numerical EM surveys that contain hypothetical CO 2 injections. The outcome of the forward modeling shows that EM methods can detect the presence of CO 2 .

54 ENVIRONMENTAL SCIENCES↗

Report on Assessment of Environmentally Assisted Fatigue for LWR Extended Service Conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This quarterly report is a deliverable in FY13 under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

Mohanty, Subhasish↗

June 2013 Update: Status Report on Assessment of Environmentally Assisted Fatigue for LWR Extended Service Conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This quarterly report is a deliverable in April-June 2013 quarter under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

Mohanty, S.↗

Computation Annual Report (2013)

Computation provides the intellectual electricity that helps make Lawrence Livermore National Laboratory (LLNL) a thriving and innovative research and development (R&D) institution. Our hardware, software, and discipline experts are integrated into almost every field of research at LLNL. Our in-house programs, software applications, and support initiatives help achieve mission-critical national-security objectives for the U.S. Departments of Energy, Homeland Security, and Defense, as well as other federal and state agencies. We deliver comprehensive support to a wide set of scientific disciplines that include physical sciences (materials modeling, fluid dynamics), biology (genomic sequencing), mathematics (scalable algorithms), and computer sciences (parallel processing, real-time control systems). This year, we have expanded our outreach with high performance computing (HPC) collaborations and made great strides in our capabilities related to mathematical computation, control systems, and computation infrastructure, many of them in concert with partners in industry and academia. The Computation workforce remains highly motivated and passionate about melding computational expertise with cutting-edge science and technology to enable breakthroughs. 2013 has once again proven that Computation provides the foundation and support that are essential for productivity at LLNL. Every scientific discipline and program leverages the tools and expertise provided by our staff. We remain at the forefront of HPC moving towards exascale and have developed the infrastructure and proficiency to make this an achievable goal. Our researchers repeatedly deliver outstanding research, attracting collaborations with the biggest names in academia and industry, while joining forces with other national laboratories to further push the bounds of what is scientifically possible. Computation’s mission is echoed by the President of the United States in his assertion that “our future depends on reaffirming America’s role as the world’s engine of scientific discovery and technological innovation.” Driven by this lofty goal, we employ our state-of-the-art computational capabilities to ensure LLNL’s position as a global science and technology leader.

97 MATHEMATICS AND COMPUTING↗

Performance Refactoring of Instrumentation, Measurement, and Analysis Technologies for Petascale Computing. The PRIMA Project

The growing number of cores provided by today’s high-­end computing systems present substantial challenges to application developers in their pursuit of parallel efficiency. To find the most effective optimization strategy, application developers need insight into the runtime behavior of their code. The University of Oregon (UO) and the Juelich Supercomputing Centre of Forschungszentrum Juelich (FZJ) develop the performance analysis tools TAU and Scalasca, respectively, which allow high-­performance computing (HPC) users to collect and analyze relevant performance data – even at very large scales. TAU and Scalasca are considered among the most advanced parallel performance systems available, and are used extensively across HPC centers in the U.S., Germany, and around the world. The TAU and Scalasca groups share a heritage of parallel performance tool research and partnership throughout the past fifteen years. Indeed, the close interactions of the two groups resulted in a cross-­fertilization of tool ideas and technologies that pushed TAU and Scalasca to what they are today. It also produced two performance systems with an increasing degree of functional overlap. While each tool has its specific analysis focus, the tools were implementing measurement infrastructures that were substantially similar. Because each tool provides complementary performance analysis, sharing of measurement results is valuable to provide the user with more facets to understand performance behavior. However, each measurement system was producing performance data in different formats, requiring data interoperability tools to be created. A common measurement and instrumentation system was needed to more closely integrate TAU and Scalasca and to avoid the duplication of development and maintenance effort. The PRIMA (Performance Refactoring of Instrumentation, Measurement, and Analysis) project was proposed over three years ago as a joint international effort between UO and FZJ to accomplish these objectives: (1) refactor TAU and Scalasca performance system components for core code sharing and (2) integrate TAU and Scalasca functionality through data interfaces, formats, and utilities. As presented in this report, the project has completed these goals. In addition to shared technical advances, the groups have worked to engage with users through application performance engineering and tools training. In this regard, the project benefits from the close interactions the teams have with national laboratories in the United States and Germany. We have also sought to enhance our interactions through joint tutorials and outreach. UO has become a member of the Virtual Institute of High-­Productivity Supercomputing (VI-­HPS) established by the Helmholtz Association of German Research Centres as a center of excellence, focusing on HPC tools for diagnosing programming errors and optimizing performance. UO and FZJ have conducted several VI-­HPS training activities together within the past three years.

97 MATHEMATICS AND COMPUTING↗

Status report on assessment of environmentally assisted fatigue for LWR extended service conditions

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This report is a deliverable in September 2013, under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials, such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the U.S. Department of Energy LWRS program for developing tools to predict the aging/failure mechanism and to correspondingly predict the remaining life of LWR components for anticipated 60-80 year operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Environmental Effect on Evolutionary Cyclic Plasticity Material Parameters of 316 Stainless Steel: An Experimental & Material Modeling Approach

This report provides an update on an earlier assessment of environmentally assisted fatigue for light water reactor (LWR) materials under extended service conditions. This report is a deliverable under the work package for environmentally assisted fatigue in the Light Water Reactor Sustainability (LWRS) program. The overall objective of this LWRS project is to assess the degradation by environmentally assisted cracking/fatigue of LWR materials such as various alloy base metals and their welds used in reactor coolant system piping. This effort is to support the Department of Energy LWRS program for developing tools to understand the aging/failure mechanism and to predict the remaining life of LWR components for anticipated 60-80 year operation.

36 MATERIALS SCIENCE↗

Methods and Tools to allow molecular flow simulations to be coupled to higher level continuum descriptions of flows in porous/fractured media and aerosol/dust dynamics

The purpose of this project was to develop methods and tools that will aid in safety evaluation of nuclear fuels and licensing of nuclear reactors relating to accidents.The objectives were to develop more detailed and faster computations of fission product transport and aerosol evolution as they generally relate to nuclear fuel and/or nuclear reactor accidents. The two tasks in the project related to molecular transport in nuclear fuel and aerosol transport in reactor vessel and containment. For both the tasks, explorations of coupling of Direct Simulation Monte Carlo with Navier-Stokes solvers or the Sectional method were not successful. However, Mesh free methods for the Direct Simulation Monte Carlo method were successfully explored.These explorations permit applications to porous and fractured media, and arbitrary geometries.The computations were carried out in Mathematica and are fully parallelized. The project has resulted in new computational tools (algorithms and programs) that will improve the fidelity of computations to actual physics, chemistry and transport of fission products in the nuclear fuel and aerosol in reactor primary and secondary containments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electron optics for 4 MeV ultrafast electron microscope - Final Report

Calabazas Creek Research, Inc. (CCR), in collaboration with Northern Illinois University (NIU), proposed to leverage CCR’s experience in electron beam generation and focusing and NIU’s experience in electron microscopy to develop a 4 MeV UEM with sub-ns temporal resolution and 0.3 nm spatial resolution with a relative energy spread of 10-5. Important design tools for the program were CCR’s 3D, finite element code Beam Optics Analyzer (BOA) and the photocathode design code PHOTOQE. However, early in the program it became clear that information necessary to use PHOTOQE was not available, and the program focused on the modifying to BOA to provide the required functionality.

beam optics simulation↗

CephFS experiments on stria.sandia.gov

This report is an institutional record of experiments conducted to explore performance of a vendor installation of CephFS on the SNL stria cluster. Comparisons between CephFS, the Lustre parallel file system, and NFS were done using the IOR and MDTEST benchmarking tools, a test program which uses the SEACAS/Trilinos IOSS library, and the checkpointing activity performed by the LAMMPS molecular dynamics simulation.

74 ATOMIC AND MOLECULAR PHYSICS↗

CephFS experiments on stria.sandia.gov

This report is an institutional record of experiments conducted to explore performance of a vendor installation of CephFS on the SNL stria cluster. Comparisons between CephFS, the Lustre parallel file system, and NFS were done using the IOR and MDTEST benchmarking tools, a test program which uses the SEACAS/Trilinos IOSS library, and the checkpointing activity performed by the LAMMPS molecular dynamics simulation.

97 MATHEMATICS AND COMPUTING↗

Potential State Regulatory Pathways to Facilitate Low-Carbon Fuels

States and the federal government are increasingly engaged in the challenges around decarbonizing the electric grid. In particular, regulators, consumers, stakeholders, and utilities recognize the need to carefully consider the role natural gas will play in a decarbonized future. A variety of technology and policy options to reduce greenhouse gas emissions associated with natural gas use are available, including energy efficiency programs, demand reduction tools, strategic electrification, and strategies to reduce emissions from natural gas production, transportation, and consumption. Low-carbon fuels – mainly renewable natural gas (RNG) and clean hydrogen – are being considered an important component of decarbonization goals. RNG and hydrogen may be able to meaningfully reduce emissions from processes independent of geologic natural gas, displacing emissions of methane, a powerful greenhouse gas. Although RNG and hydrogen are not cost-competitive today with geologic natural gas and are smaller in scale and potential than other decarbonization options, they can be explored as potential critical tools to decarbonize sectors that are difficult to electrify or shift off of natural gas entirely, such as air travel, industrial processes, maritime transport, long-distance trucking, space heating on cold days, and railroads (Nadel, 2022). The role of this report is to provide informational context for state utility regulators to understand the impacts of and challenges associated with broader integration of low-carbon fuels, followed by examples of state regulatory actions taken to date to facilitate the development of low-carbon fuels. Setting clear guidance to calculate the environmental benefits of low-carbon fuels and continuing federal and state investments in research and development to reduce costs relative to fossil fuels will be important steps to take to signal the desire to grow the market for these fuels. State public utility commissions may play a key role in setting regulatory frameworks for low-carbon fuels and ensuring that ratepayer funds, if utilized, are done so to further the public interest. This report is intended to summarize decisions that states have made to date on low-carbon fuels. In the spirit of understanding the current market and sharing information, this report provides success stories, and lessons learned across states as regulators implement varying strategies to achieve decarbonization objectives while maintaining their focus on affordability, safety, and reliability of the energy system. The report begins with an introduction of the role of natural gas in the U.S. economy (Section I) and background information on natural gas use, decarbonization, and low-carbon fuels (Section II). Next, the report describes the current market by discussing the scale of current production, emissions intensity, resource potential, and costs of low-carbon fuels compared to geologic natural gas (Section III). Following these sections, the report describes four strategies states have employed to facilitate low-carbon fuels: opening exploratory dockets, approving voluntary tariffs for customers, approving interconnection tariffs for producers, and considering portfolio-wide procurement targets (Section IV). This section lists states that have taken actions in each category, citing utility filings, commission decisions, stakeholder comments, and other relevant sources. Finally, the report concludes with suggested questions regulators may wish to consider regarding low-carbon fuels, in the interest of preparing to make decisions in the future (Section V). These questions include: Are there existing regulatory or technical barriers to voluntary purchases of low-carbon fuels? Can customers work with utilities to procure low-carbon fuels; are producers able to interconnect projects without significant barriers to entry? Should the infrastructure and/or commodity costs of low-carbon fuels be socialized among all ratepayers, or borne solely by the large commercial and industrial (C&I) customers currently driving the market? Should regulated natural gas and/or electric utilities own and operate low-carbon fuel production? How should regulators consider the unique decarbonization potential of low-carbon fuels, particularly for hard-to-abate sectors, in decision-making? Is additional direction or clarity from state policymakers needed? What no-regrets approaches can help facilitate both near-term RNG development and long-term development of hydrogen and other zero-carbon fuels? We collectively wish to express our gratitude to the U.S. Department of Energy, Office of Fossil Energy and Carbon Management, for supporting this report and other technical assistance resources for state regulators on natural gas topics. State regulators operate under a variety of policy environments, and states have vastly different types of energy resources, infrastructure, and customers. While there is no optimal regulatory, policy, or technological solution that will be successful in every state, state regulators can benefit by exchanging lessons learned with their peers across the country. We look forward to continued engagement with our fellow commissioners, commission staff, NARUC, the U.S. Department of Energy, and other stakeholders to develop sound regulation in the public interest.

03 NATURAL GAS↗

Sandia's Biofuels Program

Sandia's biofuels program is focused on developing next-generation, renewable fuel solutions derived from biomass. In this video, various Sandia researchers discuss the program and the tools they employ to tackle the technical challenges they face.

09 BIOMASS FUELS↗

A Home Ignition Assessment Model Applied to Structures in the Wildland-Urban Interface

The issue of exterior fire threat to buildings, from either wildfires in the wildland-urban interface or neighboring structure fires, is critically important. To address this, theWildfire Ignition Resistant Home Design (WIRHD) program was initiated. The WIRHD program developed a tool, theWildFIREWizard, that will allow homeowners to estimate the external fire threat to their homes based on specific features and characteristics of the homes and yards. The software then makes recommendations to reduce the threat. The inputs include the structural and material features of the home and information about any ignition sources or flammable objects in its immediate vicinity, known as the home ignition zone. The tool comprises an ignition assessment model that performs explicit calculations of the radiant and convective heating of the building envelope from the potential ignition sources. This article describes a series of material ignition and flammability tests that were performed to calibrate and/or validate the ignition assessment model. The tests involved exposing test walls with different external siding types to radiant heating and/or direct flame contact.The responses of the test walls were used to determine the conditions leading to melting, ignition, or any other mode of failure of the walls. Temperature data were used to verify the model predictions of temperature rises and ignition times of the test walls.

Biswas, Kaushik↗