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At least 1,477 records · Page 82

Stochastic optimization of cellulosic biofuel supply chain incorporating feedstock yield uncertainty

The global goal to reduce dependence on fossil fuels and to mitigate greenhouse gas emissions has resulted in research focused on environment friendly and socio-economically sustainable renewable energy sources. However, commercial production of bio-energy is constrained by biomass supply uncertainty and associated costs. This study presents an integrated approach to determining the optimal biofuel supply chain considering biomass yield uncertainty. A two-stage stochastic mixed integer linear programming is utilized to minimize the expected system cost while incorporating yield uncertainty in the strategic level decisions related to biomass production and biorefinery investment. Applicability of the stochastic model is illustrated through a case study of switchgrass-based biofuel in west Tennessee.

09 BIOMASS FUELS↗

The human aortic endothelium undergoes dose-dependent DNA methylation in response to transient hyperglycemia

Glycemic control is a strong predictor of long-term cardiovascular risk in patients with diabetes mellitus, and poor glycemic control influences long-term risk of cardiovascular disease even decades after optimal medical management. This phenomenon, termed glycemic memory, has been proposed to occur due to stable programs of cardiac and endothelial cell gene expression. This transcriptional remodeling has been shown to occur in the vascular endothelium through a yet undefined mechanism of cellular reprogramming.

60 APPLIED LIFE SCIENCES↗

Global optimal energy management control strategies for connected four‐wheel‐drive hybrid electric vehicles

This study presents a novel decentralised hierarchical global energy management control strategy for a group of connected four‐wheel‐drive hybrid electric vehicles (HEVs) in urban road conditions. In the higher level controller, signal phase and timing information and the optimal cruising velocity are combined to generate the target velocities for the HEVs. A model predictive control framework that focuses on the tracking of the target velocity and the associated desired control variable for every individual vehicle is proposed for the prediction of the optimal velocity that compromises fuel economy, mobility and safety. In the lower level controller, a dynamic programming problem is formulated that utilises the predicted velocity for the global energy management optimisation of every individual HEV. Simulation results validate the advantages of the proposed higher and lower level controllers.

Qiu, Lihong↗

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Synthetic genetic circuits as a means of reprogramming plant roots

We report the shape of a plant’s root system influences its ability to reach essential nutrients in the soil and to acquire water during drought. Progress in engineering plant roots to optimize water and nutrient acquisition has been limited by our capacity to design and build genetic programs that alter root growth in a predictable manner. We developed a collection of synthetic transcriptional regulators for plants that can be compiled to create genetic circuits. These circuits control gene expression by performing Boolean logic operations and can be used to predictably alter root structure. This work demonstrates the potential of synthetic genetic circuits to control gene expression across tissues and reprogram plant growth.

59 BASIC BIOLOGICAL SCIENCES↗

Validating Savings Claims of Cold Climate Zero Energy Ready Homes

This study was intended to validate actual performance of three ZERHs in the Northeast to energy models created in REM/Rate v14.5 (one of the certified software programs used to generate a HERS Index) and the National Renewable Energy Laboratory’s Building Energy Optimization (BEopt™) v2.3 E+ (a more sophisticated hourly energy simulation software). This report details the validation methods used to analyze energy consumption at each home.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Potential Ideas for an El Capitan Center of Excellence (COE) Around Intelligent Simulation

Proposing a Center of Excellence under the CORAL-2 NRE is a mandatory requirement. The current Sierra COE (CORAL-1) is largely focused on helping LLNL applications make the disruptive transition to a heterogeneous GPU-based system by 2018. We expect a continuation of COE activities around optimizing our broad and diverse application base (of so-called “traditional” simulation codes) optimized for the El Capitan architecture, as well as supporting the underlying software stack (compilers, tools, programming models, etc.) – but do not expect this to require as much effort in the El Capitan COE (assuming a heterogeneous node architecture). What follows are some thoughts on 3 potential topics of interest for an El Capitan COE at LLNL – largely focused around AI and machine learning and the concept of advancing our goal of intelligent simulation or cognitive computing in the timeframe of deployment and production use of El Capitan (2023-2038). We believe vendor engagement through a COE in this area will provide a natural point-of-interest between LLNL and our vendor partner for common advancement of machine learning capabilities focused on scientific data – potentially greatly broadening the ecosystem around HPC architectures and the supporting software stack for scientific simulation-based AI.

97 MATHEMATICS AND COMPUTING↗

Operational Planning Strategy for a Sequim Bay Underwater UXO Test Site (SBU2)

The Department of Defense (DoD) has identified more than 400 underwater sites that are potentially contaminated with munitions. Most areas are in shallow water (0-35 m) where the munitions pose a threat to human health and the environment. The Strategic Environmental Research and Development Program (SERDP) and Environmental Security Technology Certification Program (ESTCP) held a workshop in 2018 to establish the requirements, framework, protocols, responsibilities, and time lines for development of a series of underwater UXO Standardized Demonstration sites (“test beds”) for the purpose of testing the efficacy of sensors, equipment, and technologies to detect UXO. The workshop recommended a phased approach to building test beds to capitalize on: 1) incorporation of lessons learned from existing DoD funded projects, 2) leveraging existing underwater test bed environments funded by other programs, and 3) supporting recursive learning from early phases of the test bed development (i.e. efficiently optimizing through a scaling-up approach). This strategy document provides the framework to establish a working operational plan for the Sequim Bay Underwater UXO (SBU2) Test Bed (Phase II). Details of the plan are dependent on earlier phases of the effort as shown in Figure 1. Results from Phase I are being evaluated, and when complete, will inform the next iteration of this plan. As such, it should be considered a living document that will be informed by the lessons learned and updated as new information becomes known and requirements are refined. This approach will allow SBU2 to evolve to meet the needs of the remediation community.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Vertical Axis Wind Turbine (VAWT) with Thermoplastic Composite Blades

Rising concerns about global climate change, planet pollution and increasing use of energy have accelerated wider utilization of renewable energy sources. A recent trend in energy system development is decentralization of power generation systems. The opportunity for individuals or organizations to generate electricity locally decreases losses and part of the electricity price caused by the long-distance power transmission. Vertical axis wind turbines (VAWTs) cannot compete with traditional horizontal axis wind turbines (HAWTs) on the basis of aerodynamic performance or maximum power output generated for a given footprint. However, their ability to perform at a wide range of wind speeds, indifference to wind direction, simplicity of fabrication, transportability and maintainability make them ideal candidates for decentralized installations in urban and residential areas. The project team including Steelhead Composites (SHC), Colorado State University (CSU), National Renewable Energy Laboratory (NREL) and Arkema Inc. designed and fabricated a VAWT rotor assembly with thermoplastic composite blades using novel infusion and fabrication techniques. This full-scale VAWT rotor assembly was designed for a rated power output of 0.5-1 kW, as estimated through analytical computational fluid dynamics (CFD) methods. Those CFD simulations were combined with structural finite element analysis (FEA) to optimize the shape and composite layup of the wind blades. Much of the emphasis of this program was to characterize the recyclable thermoplastic material and composite structural design, in order to take full advantage of the material properties of such composites. Additionally, this project examined the potential of thermoplastic resin systems to transform the way VAWT rotor assemblies are joined both in the factory in in the field, by utilizing thermally welded joints to minimize field failure. The infused composite blades manufactured during this program are an excellent example of these benefits made possible by the Arkema thermoplastic resin system. This prototype blade manufacturing also provided the groundwork to inform decisions for larger scale manufacturing techniques applicable to a commercialization strategy. There is specific commercial interest for small scale VAWT’s that are competitively priced, perform to expectations, and have environmentally conscious end-of-life characteristics. Economic analysis was also conducted to compare designs and material usage, providing an estimated levelized cost of energy (LCOE) for the VAWT. The next steps for commercialization would include testing of the rotor assembly to verify predicted performance, specification of the balance of plant components (generator, inverter, etc.), and identification of a manufacturing partner with capability to scale-up production. This program has showed the potential for a commercially viable product through detailed analysis, material characterization and prototype fabrication.

17 WIND ENERGY↗

National Security & International Studies (Q1 FY2021 Newsletter)

Happy New Year to everyone. Activity in the office continues to be at a high pace with the addition of the Strategic Analyses and Assessments (SAA) Office from ALDX, and the Mission Integration (MI) Office (formerly known as Nuclear and Military [NMA] Office) from DDW. We are working closely to optimize the impact of our combined offices. In this issue of our newsletter, we will highlight programs from the SAA Office portfolio, delve into our interactions with the Project on Nuclear Issues (PONI) program from CSIS, introduce you to new staff in NSIS and review a new joint postdoc program with the UC Institute on Global Conflict and Cooperation and the Center for Global Security Research at LLNL. I also encourage you to take a look at the new NSIS website for more information on the office. Finally, the NSIS office will soon be kicking off a webinar series on starting with topics of interest to the Director’s Strategic Resilience Initiative and will grow beyond that. Stay tuned for more information. --John Scott, Acting Office Director, NSIS

99 GENERAL AND MISCELLANEOUS↗

RAVEN Theory Manual

RAVEN is a software framework able to perform parametric and stochastic analysis based on the response of complex system codes. The initial development was aimed at providing dynamic risk analysis capabilities to the thermohydraulic code RELAP-7, currently under development at Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose stochastic and uncertainty quantification platform, capable of communicating with any system code. In fact, the provided Application Programming Interfaces (APIs) allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by input files or via python interfaces. RAVEN is capable of investigating system response and explore input space using various sampling schemes such as Monte Carlo, grid, or Latin hypercube. However, RAVEN strength lies in its system feature discovery capabilities such as: constructing limit surfaces, separating regions of the input space leading to system failure, and using dynamic supervised learning techniques. The development of RAVEN started in 2012 when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework arose. RAVEN’s principal assignment is to provide the necessary software and algorithms in order to employ the concepts developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just to identify the frequency of an event potentially leading to a system failure, but the proximity (or lack thereof) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. peak pressure in a pipe) is exceeded under certain conditions. Most of the capabilities, implemented having RELAP-7 as a principal focus, are easily deployable to other system codes. For this reason, several side activates have been employed (e.g. RELAP5-3D, any MOOSE-based App, etc.) or are currently ongoing for coupling RAVEN with several different software. The aim of this document is to provide a set of commented examples that can help the user to become familiar with the RAVEN code usage.

97 MATHEMATICS AND COMPUTING↗

A global R&D storage platform implementing distributed Quality of Service [PowerPoint]

The objectives of the program include: Provide facility R&D to match software R&D; Providing a federated system for the optimization of the various storage types (QoS) and reduction of the required manpower to operate storage; and, ''Data lake'': Hiding complexity behind common interfaces and leave it to the distributed lake infrastructure to solve those issues, being: Transpareent change of storage technologies (time, price); and, Data available for low latency access when needed (staging) and safely archived if configured (Long term archive).

43 PARTICLE ACCELERATORS↗

Status of the nuSTORM Facility and a Possible Extension for Long-Baseline $\nu$ Oscillation Experiments

Neutrino beams produced from the decay of muons in a racetrack-like decay ring (the so called Neutrino Factory) provide a powerful way to study neutrino oscillation physics and, in addition, provide unique beams for neutrino interaction studies. The Neutrinos from STORed Muons (nuSTORM) facility uses a neutrino factory-like design. Due to the particular nature of nuSTORM, it can also provide an intense, very pure, muon neutrino beam from pion decay. This so-called “Neo-conventional" muon neutrino beam from nuSTORM makes nuSTORM a hybrid neutrino factory. In this paper we describe the facility and give a detailed description of the neutrino beam fluxes that are available and the precision to which these fluxes can be determined. We then present sensitivity plots that indicated how well the facility can perform for short-baseline oscillation searches and show its potential for a neutrino interaction physics program. Finally, we comment on the performance potential of the "Neo-conventional" muon neutrino beam optimized for long- baseline neutrino-oscillation physics.

43 PARTICLE ACCELERATORS↗

A New Fast Fluid Dynamics Model for Data-Center Floor Plenums

A raised-floor plenum is often used to distribute cooling airflow in data centers. Traditional Computational Fluid Dynamics (CFD) can accurately model airflow distribution in plenums, but it is expensive (computationally and financially) and is, therefore, often not accessible to the data center designer or operator. This paper presents an alternative CFD methodology based on Fast Fluid Dynamics (FFD), which is faster, more parallelizable, and simpler to program. The improvement in computational speed afforded by FFD is particularly important for multiple-iteration optimization, transient simulations, or applications for which near-real-time performance is required. Here, the potential speed improvements of FFD have been widely documented; however, it has been generally accepted that this benefit is accompanied by a modest loss of accuracy relative to traditional CFD. We show here that this is not necessarily true. Plenum airflow predictions by our FFD implementation, which utilizes a first-order upwind rather than Semi-Lagrangian advection scheme of previous research, are extremely close to those predicted by traditional CFD - provided the same turbulence model and computational grid are used consistently.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Coupling SCALE with DAKOTA for Axial Burnup Profiles Assessment in Burnup Credit

This paper presents a computational study that demonstrates the application of the SCALE code system in conjunction with the Design Analysis Kit for Optimization and Terascale Applications (DAKOTA) for the analysis of key factors influencing the evaluation of burnup credit (BUC) in pressurized water reactors (PWRs). The primary objective of this analysis is to characterize the model by utilizing parameterization, uncertainty quantification, and optimization studies. Using this approach, we can comprehensively assess the system and conduct informed predictive studies. This study highlights the effectiveness of the SCALE code system integrated within the DAKOTA framework in terms of efficiency and capability. With the coupling of the burnup code ORIGAMI with the CSAS or TSUNAMI-3D sequence embedded in a DAKOTA analysis, we can characterize the factors that influence the k eff of PWR 17x17 spent nuclear fuel (SNF) in the GBC-32 computational benchmark cask for the assessment of BUC in criticality safety analysis. The coupling methodology used in this study is not exclusive to BUC analysis. However, the choice to apply this methodology to the BUC problem is particularly significant because of the diverse range of aspects it encompasses in nuclear criticality safety analyses. This problem presents a unique opportunity to explore and address multiple facets of such analyses related to BUC and illustrates the capability of the SCALE code system with DAKOTA. This analysis makes use of historical reference data for the axial burnup profile, where the entire space within the bounds is considered. Both SCALE and DAKOTA are currently integrated in the Nuclear Energy Advanced Modeling Simulation (NEAMS) Workbench code system, which has a user-friendly graphical interface that simplifies the setup of simulations and configuration of input parameters as well as the visualization of simulation results.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Towards Automated Generation of Chiplet-Based Systems

The Software Defined Architectures (SODA) Synthesizer is an open-source compiler-based tool able to automatically generate domain-specialized systems targeting Application- Specific Integrated Circuits (ASICs) or Field Programmable Gate Arrays (FPGAs) starting from high-level programming. SODA is composed of a high-level frontend, SODA-OPT, which leverages the multilevel intermediate representation (MLIR) framework to interface with productive programming tools (e.g., machine learning frameworks), identify kernels suitable for acceleration, and perform high-level optimizations, and of a state-of-the-art high-level synthesis backend, Bambu from the PandA framework, to generate custom accelerators. One specific application of the SODA Synthesizer is the generation of accelerators to enable ultra-low latency inference and control on autonomous systems for scientific discovery (e.g., electron microscopes, sensors in particle accelerators, etc.). This talk will discuss ongoing work on the SODA synthesizer to enable no-human-in-the-loop generation and design space exploration of the chiplets for highly specialized artificial intelligence accelerators. Connecting these highly specialized chiplets to general-purpose cores or programmable accelerators will allow to quickly deploy autonomous systems for scientific discovery.

Limaye, Ankur M.↗

Optimized Solvent for Energy-Efficient, Environmentally-Friendly Capture of CO{sub 2} at Coal-Fired Power Plants

The overall goal of this project, as originally proposed, was to optimize the formulation of a novel solvent as a critical enabler for the cost-effective, energy-efficient, environmentally-friendly capture of CO{sub 2} at coal-fired utility plants. Aqueous blends of concentrated piperazine (PZ) with other compounds had been shown to exhibit high rates of CO{sub 2} absorption, low regeneration energy, and other desirable performance characteristics during an earlier 5-year development program conducted by B&W. The specific objective of this project was to identify PZ-based solvent formulations that globally optimize the performance of coal-fired power plants equipped with CO{sub 2} scrubbing systems. While previous solvent development studies have tended to focus on energy consumption and absorber size, important issues to be sure, the current work seeks to explore, understand, and optimize solvent formulation across the full gamut of issues related to commercial application of the technology: capital and operating costs, operability, reliability, environmental, health and safety (EH&S), etc. Work on the project was intended to be performed under four budget periods. The objective of the work in the first budget period has been to identify several candidate formulations of a concentrated PZ-based solvent for detailed characterization and evaluation. Work in the second budget period would generate reliable and comprehensive property and performance data for the identified formulations. Work in the third budget period would quantify the expected performance of the selected formulations in a commercial CO{sub 2} scrubbing process. Finally, work in the fourth budget period would provide a final technology feasibility study and a preliminary technology EH&S assessment. Due to other business priorities, however, B&W has requested that this project be terminated at the end of the first budget period. This document therefore serves as the final report for this project. It is the first volume of the two-volume final report and summarizes Budget Period 1 accomplishments under Tasks 1-5 of the project, including the selection of four solvent formulations for further study.

20 FOSSIL-FUELED POWER PLANTS↗

US Department of Energy Federal Energy Management Program Energy Treasure Hunt Toolkit

The US Department of Energy’s Federal Energy Management Program (FEMP) aims to assist federal agencies and their stakeholders with their energy-focused goals, opportunities, and barriers. The program offers various technical trainings and resources to its stakeholders. One of these resources is an energy treasure hunt program. This report presents the FEMP energy treasure hunt toolkit, a technical resource designed for systematic application for federal facilities seeking to optimize their energy and carbon usage. The toolkit was designed to help facilitate energy-focused kaizen events, identify energy-saving recommendations, analyze identified opportunities, and provide the tools needed to detect actionable projects to advance federal facilities. Through a collaboration with the Oak Ridge National Laboratory team that executed the industrial-focused Better Plants energy treasure hunt program, a similar treasure hunt toolkit was designed for FEMP. The purpose of this report is to provide an overview of the treasure hunt process and FEMP toolkit capabilities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗