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At least 109 records · Page 6

Connected and Learning Based Optimal Freight Management for Efficiency

The management of the future heterogenous fleet is a complex decision-making problem. The heterogenous fleet is emerging as decarbonization technologies are deployed by fleets toward lowering the freight operation emissions in Medium and Heavy-duty vehicles. Traditionally, in fleets characterized by a homogeneous Diesel Internal Combustion Engine (ICE) powertrain, the process of fleet planning and operational optimization unfolds sequentially without the necessity to account for powertrain and vehicle-specific characteristics during dispatch decisions. Fleets with trucks less than 5 years old tend to maintain stable vehicle efficiency with minimal operational reliability risks for fleet managers. However, the landscape changes with the incorporation of emerging powertrain technologies, which lack extensive operational data and service experiences. This includes technologies like hybrid, Electric, Fuel Cell, or alternative fuel ICE. Operational decisions for fleets featuring heterogeneous powertrain technologies and facing limited access to alternative fueling and charging stations become intricate, requiring careful consideration and optimization at each dispatch. The difference in efficiency characteristics of emerging technologies, their range limitations, and the restricted availability of charging/alternative fueling infrastructure, coupled with sensitivity to driving conditions (e.g., EV range reduction in low temperatures) and their impact on component aging (such as batteries), become pivotal factors influencing the reliable and efficient freight transportation. To make the path toward low emission freight transportation efficient and reliable, an AI-assisted fleet management software is developed in this project to help fleet managers in optimizing both adoption of emerging powertrain decarbonization, connected and automated technologies and also operating the fleet after such technologies are deployed as schematically. Freight transportation requirements are different depending on the cargos to be shipped, customer requirements and regions of operations. This further highlights the need for software and digital solutions to tailor deployment and operation of emerging powertrain, connectivity, and automation technologies toward the specific fleet operation requirements. The fleet management optimizer was also integrated with a model of the fleet to simulate the operation of the fleet over 1 year of the baseline fleet operation (250,000+ shipments) indicating the significance of day-to-day variations on emissions and energy consumption of a freight transportation fleet. The results demonstrate ≥20% improvement in freight efficiency in terms of WTW CO2 per ton-mile of cargo shipments while all fleet operation constraints are enforced, and the cost (CapEx and OpEx) is minimized.

33 ADVANCED PROPULSION SYSTEMS↗

SCA Tools - SCRM Value Add or Lossy Noise Machines

Software supply chain risk management (SCRM) depends upon accurate information regarding the software components that comprise any given software system. The collection of components included in a software package can be organized within a software bill of materials, or SBOM. SBOMs are ideally generated when the software components are put together, such as at compile time, but for many reasons that has not and is not always possible. For example, legacy or proprietary software packages often do not have SBOMs available to downstream consumers of that software. It’s not just end users that are affected, manufacturers themselves also must deal with this problem. To answer these questions, the market has seen the rise of several commercial software composition analysis (SCA) tools. These tools aim to peer into completed software systems, automatically identifying hidden software dependencies and looking up known vulnerabilities associated with those dependencies to enable end-users to enhance their cyber supply chain risk management processes. These tools are potentially a huge boon to end users of legacy and proprietary software – and a potential bane, depending on how accurate they are. This research asks that question – how accurate are currently available binary SCA tools – and provides answers to several other questions: What does it mean to be “accurate”? What limitations do the tools have in identifying common edge cases that take place in modern software development? Can they help you avoid a devastating supply chain attack, or is it all just noise? After researching SCA tools on the market, we identified three vendors that fit our use case and would provide analysis on compiled binaries. Using these tools, we submitted firmware for critical infrastructure devices for analysis and SBOM generation. The SBOM outputs were then cross referenced with SBOMs generated through manual analysis for comparison. In addition to the firmware samples, we also submitted edge case samples based off a popular open-source library that were specifically crafted to evaluate each tools’ ability to accurately identify components. These samples were customized to be consistent with modifications we have seen in modern software development as well as a couple that are representative of supply chain attacks.

97 MATHEMATICS AND COMPUTING↗

A Generic High Bandwidth Data Acquisition Card for Physics Experiments

In high energy physics and nuclear physics experiments particularly the ones based on particle accelerator, the data rate from the detector is usually in the order of Terabytes per second. This high throughput data from detector front-end electronics need to be transmitted to the back-end computing farm for high level event selection and building. A Data Acquisition (DAQ) system with features of high-density, scalable, easily upgradeable is crucial to simplify the readout architecture of whole experiment. This paper will introduce the design of a generic high bandwidth PCIe card which can be used as the important input output card in a scalable DAQ system. It can factorize front-end electronics from data handling, and reduce amount of custom hardware in favor of scalable detectorindependent commercial hardware and software. Besides the 48 channels of bidirectional high speed fiber optical links with frontends, it also supports to synchronize with the experiment timing system, and to fanout the clock and trigger information with a fixed latency to the front-end electronics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

wastewater_virus

This repo contains software used to clean and assemble high-throughput sequencing data containing viruses. The input is raw illumina sequencing reads and the output is a database of high-quality viral genomes. The specific application is to wastewater viral concentrates but it is not restricted to that sample type. The software is composed of Nextflow workflows and a set of custom Python and bash scripts that call publicly available bioinformatics tools to accomplish obvious tasks in data analysis in a high performance computing environment. For detailed information, please see the repo's README file.

Kantor, Rose [Lawrence Livermore National Laborato↗

LANL Meteorological Program Self-Assessment 2021 Update

This self-assessment, documented in Table 1, has shown that there has been continued significant progress achieved in meeting the intent of the 21 recommendations from the 2015 DMCC Assist Visit. Every year after the Assist Visit, the LANL Met Program has improved, mainly by addressing the recommendations in the Assist Visit report. The Met Program management should continue to strive to apply its limited resources and seek to acquire additional human capital and physical resources to meet the dynamic needs of its growing sitewide customer base. This includes additional upgrading of the hardware and software elements of the Met Program and implementation of its operational procedures and QAPP to ensure it will consistently meet important present program requirements, as well as anticipated future requirements. These improvements have been summarized in the “present improvements and future initiatives” column in Table 1.

47 OTHER INSTRUMENTATION↗

Algorithms and file structures to extend and enhance liquid chromatography and ion mobility mass spectrometry workflows (CRADA Final Report)

The purpose of this project was to continue supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based protein and metabolite characterization. PNNL worked with Agilent to design, implement, evaluate, and demonstrate new algorithms and integrated them as functionalities into the PNNL-PreProcessor software. The project augmented PNNL’s capabilities to analyze complex proteomics and metabolomics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze these compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining liquid chromatography and ion mobility with mass spectrometry for widespread applications in life sciences and other fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Capability Enhancements for System-level thermal Hydraulic Modeling of Lead Fast Reactors

This project has focused on the use, assessment, and development of the SAS4A/SASSYS-1 (SAS) safety analysis software. Although SAS was originally intended as a safety analysis tool for Liquid Metal cooled Fast Reactors (LMFRs), which includes both Sodium Fast Reactors (SFRs) and Lead Fast Reactors (LFRs), the vast majority of its recent development and customization has been tailored to SFRs. In general, enhancements that are made to the software for SFRs are applicable to LFRs, however, the fuel composition and corrosive nature of lead requires careful consideration when performing safety analysis of an LFR. In this project an emphasis was placed on closing gaps that are associated with modeling LFRs using SAS. The principal objective of the project was to enhance the ability of SAS as a licensing tool for LFRs. This objective was to be accomplished through three tasks: 1) Enhance the ability of SAS to couple with external software; 2) Improve the underlying physics models in SAS, with priority given to models that are highly relevant to LFRs; 3) Extend the Verification and Validation (V&V) basis of the software

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Resilient Information Architecture Platform for Smart Grid (RIAPS)

A number of emerging trends will substantially alter the operation and control of the electric grid over the next several decades. These trends include ensuring resiliency under severe weather events, increasing integration of renewable electricity generation, supporting changing electricity demand patterns, and the improving cost effectiveness of distributed energy resources. To address these challenges, the future “Smart Grid” management will need to transition from centralized to coordinated distributed control paradigm. Reliable operation of the Smart Grid depends on distributed intelligence realized through software applications that run on distributed computing devices attached to the power system to collect data and collaboratively manage resources. However, much of the existing software for Smart Grid-enabled devices is either proprietary or developed with custom solutions, which limits interoperability among the heterogeneous devices and hinders the ability to manage system-level reliability, security, and resiliency requirements. Additionally, this approach makes Smart Grid applications hard to maintain, evolve, verify, and replace; resulting in high development and deployment costs. Further development of the Smart Grid requires a reusable software base-layer to move from hard-coded functionality to a plug-and-play architecture capable of managing system-level objectives and constraints in addition to providing consistent common services across heterogeneous devices and applications. Vanderbilt University, in collaboration with North Carolina State University and Washington State University has developed a foundation ‘software platform’ for developing and deploying robust, reliable, effective and secure software applications for the Smart Grid. The Resilient Information Architecture Platform for the Smart Grid (RIAPS) provides core services for building effective and powerful smart grid applications. It offers unique services for real-time data dissemination, fault tolerance, and coordination across apps distributed over the network.

24 POWER TRANSMISSION AND DISTRIBUTION↗

FPGA Acceleration of GCN in Light of the Symmetry of Graph Adjacency Matrix

Graph Convolutional Neural Networks (GCNs) are widely used to process large-scale graph data. Different from deep neural networks (DNNs), GCNs are sparse, irregular, and unstructured, posing unique challenges to hardware acceleration with regular processing elements (PEs). In particular, the adjacency matrix of a GCN is extremely sparse, leading to frequent but irregular memory access, low spatial/temporal data locality and poor data reuse. Furthermore, a realistic graph usually consists of unstructured data (e.g., unbalanced distributions), creating significantly different processing times and imbalanced workload for each node in GCN acceleration. To overcome these challenges, we propose an end-to-end hardware-software co-design to accelerate GCNs on resource-constrained FPGAs with the features including: (1) A custom dataflow that leverages symmetry along the diagonal of the adjacency matrix to accelerate feature aggregation for undirected graphs. We utilize either the upper or the lower triangular matrix of the adjacency matrix to perform aggregation in GCN to improve data reuse. (2) Unified compute cores for both aggregation and transform phases, with full support to the symmetry-based dataflow. These cores can be dynamically reconfigured to the systolic mode for transformation or as individual accumulators for aggregation in GCN processing. (3) Preprocessing of the graph in software to rearrange the edges and features to match the custom dataflow. This step improves the regularity in memory access and data reuse in the aggregation phase. Moreover, we quantize the GCN precision from FP32 to INT8 to reduce the memory footprint without losing the inference accuracy. We implement our accelerator design in Intel Stratix10 MX FPGA board with HBM2, and demonstrate 1.3x-110.5x improvement in end-to-end GCN latency as compared to the state-of the-art FPGA implementations, on the graph datasets of Cora, Pubmed, Citeseer and Reddit.

Nair, Gopikrishnan R.↗

otsdaq

otsdaq is a Ready-to-Use data-acquisition (DAQ) solution aimed at scaling down to test-beam, detector development, and other rapid-deployment scenarios; and scaling up through the development cycle to fullscale production and operation. otsdaq uses the artdaq DAQ framework under-the-hood, providing flexibility and scalability to meet evolving DAQ needs. otsdaq provides a library of supported front-end boards and firmware modules which implement a custom UDP protocol. Additionally, an integrated Run Control GUI and readout software are provided, preconfigured to communicate with otsdaq firmware.

Rivera, Ryan [Fermi National Accelerator Laborator↗

Applications of GIS and remote sensing in public participation and stakeholder engagement for watershed management

The use of Geographic Information Systems (GIS) and remote sensing technologies for the development of water quality management programs and for post-implementation assessments has increased dramatically in the past decade. This increase in adoption has been made more accessible through the interfaces of many popular software tools used in the regulation and assessment of water quality. Customized applications of these tools will increase, as ease of access and affordability of directly monitored and remotely sensed datasets improve over time. Concurrently, there is a need for inclusive participatory engagement with stakeholders to achieve solutions to current watershed management challenges. This paper explores the potential of these GIS and remote sensing datasets, tools, models, and immersive engagement technologies from other domains, for improving public participation and stakeholder engagement throughout the watershed planning process. To do so, an initial review is presented about the use of GIS and remote sensing in watershed management and its role in impairment identification, model development, and planning and implementation. Then, ways in which GIS and remote sensing can be integrated with stakeholder engagement through (1) leveraging GIS and remote sensing datasets, and (2) stakeholder engagement approaches including outreach and education, modeler-led development, and stakeholder-led involvement and feedback, are discussed. Finally, future perspectives on the potential for transforming public participation and stakeholder engagement in the watershed management process through applications of GIS and remote sensing are presented.

54 ENVIRONMENTAL SCIENCES↗

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗

Microcontroller-based aerosol jet printer control software

This software is used with a microcontroller to control an aerosol jet printing system. It was written for a 32-bit ARM microcontroller, providing greater processing speed and complexity relative to more conventional low-cost printer controllers. The microcontroller software was written using a real-time operating system (FreeRTOS), which simplifies parallel operation of multiple functions and further customization. It supports simultaneous motion planning, pulse generation for stepper motors, reading encoder feedback, communicating with multiple mass flow controllers, controlling solid state relays, handling a software-based emergency stop, and sending data to the client PC. The program is written in C and communicates with the client PC via USB connection. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-0436 O

Secor, EthanBenjamin↗

VDiSC: An Open Source Framework for Distributed Smart City Vision and Biometric Surveillance Networks

Recent global growth in the interest of smart cities has led to trillions of dollars of investment toward research and development. These connected cities have the potential to create a symbiosis of technology and society and revolutionize the cost of living, safety, ecological sustainability, and quality of life of societies on a world-wide scale. Some key components of the smart city construct are connected smart grids, self-driving cars, federated learning systems, smart utilities, large-scale public transit, and proactive surveillance systems. While exciting in prospect, these technologies and their subsequent integration cannot be attempted without addressing the potential societal impacts of such a high degree of automation and data sharing. Additionally, the feasibility of coordinating so many disparate tasks will require a fast, extensible, unifying framework. To that end, we propose the Distributed Smart City framework for Vision, or VDiSC. VDiSC serves as a unified biometric API harness that allows for seamless evaluation, deployment, and simple pipeline creation for heterogeneous biometric software. VDiSC additionally provides a fully declarative capability for defining and coordinating custom machine learning and sensor pipelines, allowing the distribution of processes across otherwise incompatible hardware and networks. VDiSC ultimately provides a way to quickly configure, hot-swap, and expand large coordinated or federated systems online without interruptions for maintenance. Because much of the data collected in a smart city contains Personally Identifying Information (PII), VDiSC also provides built-in tools and layers to ensure secure and encrypted streaming, storage, and access of PII data across distributed systems.

Brogan, Joel↗

Hardware, methodology and applications of 2 + D backscatter Mössbauer spectroscopy with simultaneous x-ray and γ-ray detection

Abstract A unique method is presented for the acquisition and analysis of 57 Fe backscatter Mössbauer spectra with simultaneous detection of the resonant 14.4 keV γ -rays and the characteristic 6.4 keV x-rays, using a custom-built multi-parameter analyser constructed on the basis of commercial analogue to digital converters and high-speed digital latches. The system allows for the simultaneous registration of Doppler-modulation velocities and photon energies, with up to 4096 and 8192 digital channels respectively. This arrangement is in contrast to most related systems, which detect at a single narrow energy window per detector. Samples of arbitrary atomic structure, morphology and surface topography can be studied without altering the setup or the analysis procedure, provided that the samples are at least micrometre sized. The hardware and software that are used to acquire data with minimal dead time are described and the custom and self-contained methods for post-measurement energy discrimination, background correction and velocity-axis folding are discussed. The data are fit using a general Hamiltonian model for the nuclear energy levels of 57 Fe and a quantum mechanical description of the angular momentum coupling is utilised, with consideration of the crystalline and chemical disorder of the sample under examination. Three examples of distinct magnetic systems, with thicknesses ranging from 5 μ m to 6 mm, that were studied using this method are presented, these are: an amorphous CoFeB-based ribbon with ultra-soft coercivity for high-frequency applications, magnetically hard Nd-Fe-B thick films on Si substrates, examined in both as-deposited and annealed states, and a sample from the nickel-rich iron meteorite NWA 6259 that contains the atomically ordered, elevated coercivity, L 1 0 phase of FeNi, tetrataenite. The wide applicability and usefulness of this method is thus demonstrated on three distinct sample morphologies that required little to no surface preparation prior to examination.

Engineering↗

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗