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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Shrink or Substitute: Handling Process Failures in HPC Systems Using In-Situ Recovery

Efficient utilization of today's high-performance computing (HPC) systems with complex software and hardware components requires that the HPC applications are designed to tolerate process failures at runtime. With low mean-time-to-failure (MTTF) of current and future HPC systems, long running simulations on these systems requires capabilities for gracefully handling process failures by the applications themselves. In this paper, we explore the use of fault tolerance extensions to Message Passing Interface (MPI) called user-level failure mitigation (ULFM) for handling process failures without the need to discard the progress made by the application. We explore two alternative recovery strategies, which use ULFM along with application-driven in-memory checkpointing. In the first case, the application is recovered with only the surviving processes, and in the second case, spares are used to replace the failed processes, such that the original configuration of the application is restored. Our experimental results demonstrate that graceful degradation is a viable alternative for recovery in environments where spares may not be available.

Ashraf, Rizwan↗
DOE OSTI2015

Design and construction of coal/biomass to liquids (CBTL) process development unit (PDU) at the University of Kentucky Center for Applied Energy Research (CAER)

This report describes a first phase of a project to design, construct and commission an integrated coal/biomass-to-liquids facility at a capacity of 1 bbl. /day at the University of Kentucky Center for Applied Energy Research (UK-CAER) – specifically for construction of the building and upstream process units for feed handling, gasification, and gas cleaning, conditioning and compression. The deliverables from the operation of this pilot plant [when fully equipped with the downstream process units] will be firstly the liquid FT products and finished fuels which are of interest to UK-CAER’s academic, government and industrial research partners. The facility will produce research quantities of FT liquids and finished fuels for subsequent Fuel Quality Testing, Performance and Acceptability. Moreover, the facility is expected to be employed for a range of research and investigations related to: Feed Preparation, Characteristics and Quality; Coal and Biomass Gasification; Gas Clean-up/ Conditioning; Gas Conversion by FT Synthesis; Product Work-up and Refining; Systems Analysis and Integration; and Scale-up and Demonstration. Environmental Considerations - particularly how to manage and reduce carbon dioxide emissions from CBTL facilities and from use of the fuels - will be a primary research objectives. Such a facility has required significant lead time for environmental review, architectural/building construction, and EPC services. UK, with DOE support, has advanced the facility in several important ways. These include: a formal EA/FONSI, and permits and approvals; construction of a building; selection of a range of technologies and vendors; and completion of the upstream process units. The results of this project are the FEED and detailed engineering studies, the alternate configurations and the as-built plant - its equipment and capabilities for future research and demonstration and its adaptability for re-purposing to meet other needs. These are described in some detail in this report, along with lessons learned.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

Virtual Design Studio (VDS) - Development of an Integrated Computer Simulation Environment for Performance Based Design of Very-Low Energy and High IEQ Buildings

Executive Summary The objective of this study was to develop a “Virtual Design Studio (VDS)”: a software platform for integrated, coordinated and optimized design of green building systems with low energy consumption, high indoor environmental quality (IEQ), and high level of sustainability. This VDS is intended to assist collaborating architects, engineers and project management team members throughout from the early phases to the detailed building design stages. It can be used to plan design tasks and workflow, and evaluate the potential impacts of various green building strategies on the building performance by using the state of the art simulation tools as well as industrial/professional standards and guidelines for green building system design. Engaged in the development of VDS was a multi-disciplinary research team that included architects, engineers, and software developers. Based on the review and analysis of how existing professional practices in building systems design operate, particularly those used in the U.S., Germany and UK, a generic process for performance-based building design, construction and operation was proposed. It distinguishes the whole process into five distinct stages: Assess, Define, Design, Apply, and Monitoring (ADDAM). The current VDS is focused on the first three stages. The VDS considers building design as a multi-dimensional process, involving multiple design teams, design factors, and design stages. The intersection among these three dimensions defines a specific design task in terms of “who”, “what” and “when”. It also considers building design as a multi-objective process that aims to enhance the five aspects of performance for green building systems: site sustainability, materials and resource efficiency, water utilization efficiency, energy efficiency and impacts to the atmospheric environment, and IEQ. The current VDS development has been limited to energy efficiency and IEQ performance, with particular focus on evaluating thermal performance, air quality and lighting environmental quality because of their strong interaction with the energy performance of buildings. The VDS software framework contains four major functions: 1) Design coordination: It enables users to define tasks using the Input-Process-Output flow approach, which specifies the anticipated activities (i.e., the process), required input and output information, and anticipated interactions with other tasks. It also allows task scheduling to define the work flow, and sharing of the design data and information via the internet. 2) Modeling and simulation: It enables users to perform building simulations to predict the energy consumption and IEQ conditions at any of the design stages by using EnergyPlus and a combined heat, air, moisture and pollutant simulation (CHAMPS) model. A method for co-simulation was developed to allow the use of both models at the same time step for the combined energy and indoor air quality analysis. 3) Results visualization: It enables users to display a 3-D geometric design of the building by reading BIM (building information model) file generated by design software such as SketchUp, and the predicted results of heat, air, moisture, pollutant and light distributions in the building. 4) Performance evaluation: It enables the users to compare the performance of a proposed building design against a reference building that is defined for the same type of buildings under the same climate condition, and predicts the percent of improvements over the minimum requirements specified in ASHRAE Standard 55-2010, 62.1-2010 and 90.1-2010. An approach was developed to estimate the potential impact of a design factor on the whole building performance, and hence can assist the user to identify areas that have most pay back for investment. The VDS software was developed by using C++ with the conventional Model, View and Control (MVC) software architecture. The software has been verified by using a simple 3-zone case building. The application of the VDS concepts and framework for building design and performance analysis has been illustrated by using a medium-sized, five story office building that received LEED Platinum Certification from USGBC.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Evaluation of color in digital nuclear power plant control room displays

Human system interface design in industrial process control is guided by industry standards, human factors best practices, and domain-specific conventions, and often there is a conflict between one or more of the sources of design input for specific design elements. In the nuclear domain, one design element for which conflict arises is the use of color to represent equipment state. Here, this study evaluates the tradeoffs associated with using color in a process control display versus using white and shades of gray. The performance metrics were response time, accuracy, and eye movement metrics using a simplified experimental task and professional operators. Results revealed that adhering to color conventions in nuclear power yielded small advantages in simple tasks, but did not exist for more complex tasks. The results did not provide strong evidence for or against using a particular color scheme and revealed the need for further research on the use of color for commercial nuclear power plants and other process control industries.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Dynamic Modeling for the Separation of Rare Earth Elements Using Solvent Extraction: Predicting Separation Performance Using Laboratory Equilibrium Data

Industrial rare earth element (REE) separation facilities utilize acidic cation exchange ligands such as 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (PC88A) for solvent extraction processes. REE separations are costly and difficult due to their chemical similarities and subsequent low separation factors. Several empirical correlations are available in the literature to predict steady state extraction equilibria for various solvent systems. However, complete solvent extraction flowsheet design for REE separations requires complex scrubbing and stripping circuits to separate and produce individual pure species. Furthermore, the sensitive process chemistry is susceptible to process upsets and may manifest as irreversible transients that complicate startup and continuous operation of a solvent extraction plant. Thus, dynamic modeling of REE separations will aid in process design, optimization, and management of process fluctuations. A time-dependent MATLAB/SIMULINK modeling framework has been developed for REE solvent extraction processes using laboratory equilibrium data. The model was used to develop a flowsheet that produced high purity neodymium from a 25 wt% praseodymium and 75 wt% neodymium feed. Laboratory mixer-settlers were used to verify and validate model performance. Results indicated that the model reasonably predicts the dynamic behavior of a counter-current REE separation process, and accurately predicts the steady state REE concentration profiles across the cascade. The modeling framework can be applied to any REE separation or solvent system provided adequate laboratory equilibrium data are available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A Critical Review of Heliostat Design for Concentrating Solar Thermal Technologies

Heliostat designs have undergone a widespread and eclectic development process, with many unique designs demonstrated. However, recent developments do not show the overall cohort converging toward a globally accepted universal design. Here, this study characterizes heliostats by breaking down and evaluating design traits based on emergent patterns from a comprehensive compilation of known heliostat designs spanning several decades. Four main categories for evaluation emerged: heliostat base, heliostat primary axis, heliostat drive, and facet support. Each of these four categories is further defined by four subtypes so that all heliostats fall into a single subtype within each category. The classified heliostats are ranked, yielding several view slices into the heliostat compilation or a breakdown of heliostats by type. An analysis of the breakdown shows several trends: a scale-up of established designs, new approaches at small to medium scales, and a movement toward greater adoption of linear drives. These trends reflect the most meaningful contributing factors to a proposed trajectory for a new era of heliostat designs striving to meet widely considered cost targets of $\$$50/m 2 or $\$$75/m 2 .

14 SOLAR ENERGY↗
DOE OSTI2016

Iterative Strategies for Aftershock Classification in Automatic Seismic Processing Pipelines

We report aftershock sequences following very large earthquakes present enormous challenges to near-real-time generation of seismic bulletins. The increase in analyst resources needed to relocate an inflated number of events is compounded by failures of phase-association algorithms and a significant deterioration in the quality of underlying, fully automatic event bulletins. Current processing pipelines were designed a generation ago, and, due to computational limitations of the time, are usually limited to single passes over the raw data. With current processing capability, multiple passes over the data are feasible. Processing the raw data at each station currently generates parametric data streams that are then scanned by a phase-association algorithm to form event hypotheses. We consider the scenario in which a large earthquake has occurred and propose to define a region of likely aftershock activity in which events are detected and accurately located, using a separate specially targeted semiautomatic process. This effort may focus on so-called pattern detectors, but here we demonstrate a more general grid-search algorithm that may cover wider source regions without requiring waveform similarity. Given many well-located aftershocks within our source region, we may remove all associated phases from the original detection lists prior to a new iteration of the phase-association algorithm. We provide a proof-of-concept example for the 2015 Gorkha sequence, Nepal, recorded on seismic arrays of the International Monitoring System. Even with very conservative conditions for defining event hypotheses within the aftershock source region, we can automatically remove about half of the original detections that could have been generated by Nepal earthquakes and reduce the likelihood of false associations and spurious event hypotheses. Lastly, further reductions in the number of detections in the parametric data streams are likely, using correlation and subspace detectors and/or empirical matched field processing.

58 GEOSCIENCES↗
DOE OSTI2013

Design options for a bunsen reactor.

This work is being performed for Matt Channon Consulting as part of the Sandia National Laboratories New Mexico Small Business Assistance Program (NMSBA). Matt Channon Consulting has requested Sandia's assistance in the design of a chemical Bunsen reactor for the reaction of SO2, I2 and H2O to produce H2SO4 and HI with a SO2 feed rate to the reactor of 50 kg/hour. Based on this value, an assumed reactor efficiency of 33%, and kinetic data from the literature, a plug flow reactor approximately 1%E2%80%9D diameter and and 12 inches long would be needed to meet the specification of the project. Because the Bunsen reaction is exothermic, heat in the amount of approximately 128,000 kJ/hr would need to be removed using a cooling jacket placed around the tubular reactor. The available literature information on Bunsen reactor design and operation, certain support equipment needed for process operation and a design that meet the specification of Matt Channon Consulting are presented.

Moore, Robert Charles↗
DOE OSTI2018

A Novel High Efficiency 1.5 MW, 110 GHz Gyrotron with HE11 Output for Plasma Heating

We applied a recently developed mode converter synthesis method (D. Sobolev and G. Denisov, “Principles of Synthesis of Multimode Waveguide Units”, IEEE Trans. Plasma Sci., Vol. 38, No. 10, Oct. 2010) to the design of a quasi-optical (QO) launcher for high power gyrotrons. This technique, based on the reciprocity theorem, provides a highly efficient iterative process. The initial design results of a QO launcher obtained using the Launcher Optimization Tool (LOT) were used as input to the new launcher surface synthesis algorithm. The target radiation field was defined as a Gaussian beam with best fit waist size to beam radiated from LOT optimized surface. A significant improvement in the quality of launcher output beam was obtained and the Gaussian output content was calculated at 98%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Membrane-based Carbon Capture Process Optimization using CFD Modeling

Carbon capture is a promising option to mitigate CO2 emissions from existing coal-fired power plants, cement and steel industries, and petrochemical complexes. Among the available technologies, membrane-based carbon capture presents the lowest energy consumption, operating costs, and carbon footprint. In addition, membrane processes have important operational flexibility and response times. On the other hand, the major challenges to widespread application of this technology are related to reducing capital costs and improving membrane stability and durability. To upscale the technology into stacked flat sheet configurations, high fidelity computational fluid dynamics (CFD) that describes the separation process accurately are required. High fidelity simulations have been shown to be effective in studying the complex transport phenomena in membrane systems. In addition, obtaining high CO2 recovery percentages and product purity re-quires a multi-stage membrane process, where the optimal network configuration of the mem-brane modules must be studied in a systematic way. In order to address the design problem at process scale, we formulate a superstructure for the membrane-based carbon capture, including up to three separation stages. In the formulation of the optimization problem, we include reduced models, based on rigorous CFD simulations of the membrane modules.

Pedrozo, Hector A.↗
DOE OSTI2021

Integration of Open-Source URBANopt and Dragonfly Energy Modeling Capabilities into Practitioner Workflows for District-Scale Planning and Design

High-performance districts and communities offer opportunities for reducing energy use, emissions, and costs, and can be instrumental in helping cities achieve their climate goals. The design of such communities requires identification of opportunities early on and their re-evaluation throughout the planning process. There is a need for energy modeling tools that connect 3D Computer-Aided Design (CAD) platforms to simulation engines, enabling detailed energy analysis of districts within the workflows and tools used by practitioners. This paper introduces the Dragonfly and URBANoptTM combined toolset that supports the creation of urban models from a range of geometry formats typically used by designers and planners, and provides an integrated pathway to simulate district-scale energy systems. The toolset is piloted by a global architecture and master planning firm to evaluate several key urban-scale technical questions for the design of a district in Chicago. The findings indicate that, while energy savings can be achieved through traditional architectural studies and enhancements to individual building efficiency, the modeling toolset helps identify additional savings and insights that can be achieved when considering district-scale energy systems. Finally, this study demonstrates how the Dragonfly/URBANopt toolset can integrate with master planning workflows, thereby enabling an iterative performance-based design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Design of a Geothermal Power Plant With Solar Thermal Topping Cycle

Geothermal power plants are a reliable source of low-carbon power generation. However, modern electricity markets comprise relatively large proportions of variable renewable energy generation that may require power plants to flexibly dispatch energy. The power output, efficiency, and dispatch flexibility of a geothermal plant can be enhanced by integrating solar thermal energy into the system, as well as possibly compensating against ambient temperature variations. Concentrating solar thermal (CST) can generate temperatures much higher than conventional geothermal systems. Using a solar topping cycle is one way to efficiently convert high-temperature solar heat to electricity while also cascading lower-temperature heat to the geothermal power cycle, thereby increasing its power output and possibly its efficiency. A hybrid power cycle design is proposed and simulated using SimTech IPSEpro process modeling software. The design configuration depends on the expected temperature of the geothermal resource and the quantity of solar heat added at the design point. These design considerations are described and expected performance is calculated. The solar heat addition varies throughout the day and year; therefore, off-design models are necessary to assess the impact of solar availability (and ambient temperature) on the power plant performance. Off-design models are developed and combined with hourly weather data to facilitate an evaluation of annual system performance.

concentrating solar power↗
DOE OSTI2018

An application of the Analytic Hierarchy Process for prioritizing user preferences in the design of a Home Energy Management System

Most demand response programs focus primarily on commercial and industrial loads. The sheer number of decision-influencing variables combined with a lack of a comprehensive understanding of human behavior make it difficult to develop response programs that encourage greater residential consumer participation. This paper presents a multi-criteria decision making approach using actual survey data for identifying user preferences. The novelty of the work is in considering functionality, cost, and carbon emissions for a given set of home appliances toward energy management. The paper explains the design methodologies used to prioritize the preferences from 1023 survey participants. Furthermore, the results are expected to inform the design of Home Energy Management Systems (HEMS) for participating in demand response programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Facilitated transport membranes for H 2 purification from coal-derived syngas: A techno-economic analysis

A single-stage membrane process has been designed for using facilitated transport membranes (FTMs) to decarbonize the coal-derived syngas from an integrated gasification combined cycle (IGCC) power plant. The necessary process model and costing method have also been developed to assess the technical feasibility and process economics. In order to account for the carrier saturation phenomenon associated with FTMs, a homogeneous reactive diffusion model is integrated into the process model. The techno-economic study reveals that the mitigated carrier saturation upon bulk CO 2 removal can lead to appreciable increases in the CO 2 permeance and CO 2 /H 2 selectivity, which can be utilized to achieve 95% CO 2 purity and 95% H 2 recovery with a CO 2 /H 2 selectivity of 50 at the complete carrier saturation. FTMs with different facilitated transport characteristics can also be arranged in a hybrid membrane configuration to render a H 2 recovery of 99% and a cost of electricity of $\$118.5$ /MWh, which is 12.5% lower than that of the benchmark Selexol process.

42 ENGINEERING↗
DOE OSTI2022

Rheo-Structural Spectroscopy: Fingerprinting the In Situ Response of Fluids to Arbitrary Flow Fields

The objectives of this project were to develop new sample environments, measurement methodologies and associated modeling tools for characterizing the structural response to arbitrarily complex processing flows using small angle scattering, and to apply these new tools for understanding the fundamental physics governing the structuring of anisotropic particulate and polymeric materials under flow histories and conditions relevant to industrial processing flows. The research resulted in the development and implementation of a new sample environment, the fluidic four roll mill (FFoRM), for in situ small angle neutron and X-ray scattering (SANS/SAXS) measurements. These measurements are capable of generating large data sets that “fingerprint” how a complex fluid responds to a wide range of flow histories involving time variations in deformation type and rate. New modeling tools were developed to extract detailed microstructural information from such data sets, including orientation distribution functions and interparticle correlation functions, as well as reduced-order parametric descriptors of these high-dimensional functions that can be used to readily map, visualize and interpret a fluid’s structural response to its flow history. These new tools were applied to a range of model materials involving elongated particle suspensions in order to provide new insights into the physics of how flow couples with orientational and structural order in complex flows, particularly under non-dilute conditions for which no accurate theories currently exist. Using these investigations, we elucidated a number of new insights into the fundamental phenomena driving such process-structure-property relationships. These findings provide guidance for the further development of rheological models, and ultimately can inform the rational and model-based design of flow processes to achieve optimized orientational ordering that is key to the properties and function of a wide range of energy-relevant materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

7th World Congress on Integrated Computational Materials Engineering (ICME 2023) (Final Technical Report)

Integrated Computational Materials Engineering (ICME) has received international attention due to its potential to shorten product development time, while lowering cost and improving design and manufacturing outcomes. ICME is an approach to designing materials solutions for specific applications that use computer modeling programs to predict the behavior of materials and integrate this information into the overall materials, processing, and manufacturing design cycle. The 7th World Congress on Integrated Computational Materials Engineering (ICME 2023) was held in Orlando, Florida from May 21–25, 2023 with the goal to convene stakeholders from across all areas of modeling and simulation, experimental specialization, and design, as well as from across academia, government, and industry, to address ICME tools and techniques and their integration, as well as to examine their application in engineering. This atmosphere facilitated rich interactions between the experimentalists, modelers, and computational and design, from academia, government, and industry, to discuss ICME tools and techniques and their application in engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Designing Glass and Crystalline Phases of Metal–Bis(acetamide) Networks to Promote High Optical Contrast

Owing to their high tunability and predictable structures, metal–organic materials offer a powerful platform to study glass formation and crystallization processes and to design glasses with unique properties. In this work, we report a novel series of glass-forming metal–ethylenebis(acetamide) networks that undergo reversible glass and crystallization transitions below 200 °C. The glass-transition temperatures, crystallization kinetics, and glass stability of these materials are readily tunable, either by synthetic modification or by liquid-phase blending, to form binary glasses. Pair distribution function (PDF) analysis reveals extended structural correlations in both single and binary metal–bis(acetamide) glasses and highlights the important role of metal–metal correlations during structural evolution across glass–crystal transitions. Notably, the glass and crystalline phases of a Co–ethylenebis(acetamide) binary network feature a large reflectivity contrast ratio of 4.8 that results from changes in the local coordination environment around Co centers. These results provide new insights into glass–crystal transitions in metal–organic materials and have exciting implications for optical switching, rewritable data storage, and functional glass ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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