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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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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Grid Application and Controls Development for Medium-Voltage SiC-Based Grid Interconnects

This paper studies, the grid-interconnection requirements of directly connected medium-voltage (MV) Silicon Carbide-based (SiC-based) converters and details the necessary control implementations. These power electronic converters follow the interconnection standard IEEE 1547-2018, but can also have additional controls supported by the microgrid standards in IEEE 2030.7, which is demonstrated in this work. Additionally, this paper defines the grid applications realized by these directly connected medium-voltage power electronic converters at the distribution scale and demonstrates results. The controls for the studied grid applications are then developed and implemented on the controller. The paper also includes details of the control algorithm development and validations of the control algorithm through hardware-in-the-loop results.

28 EE - Advanced Manufacturing Office (EE-5A)↗
DOE OSTI2016

Development and validation of chemistry agnostic flow battery cost performance model and application to nonaqueous electrolyte systems: Chemistry agnostic flow battery cost performance model

A chemistry agnostic cost performance model is described for a nonaqueous flow battery. The model predicts flow battery performance by estimating the active reaction zone thickness at each electrode as a function of current density, state of charge, and flow rate using measured data for electrode kinetics, electrolyte conductivity, and electrode-specific surface area. Validation of the model is conducted using a 4kW stack data at various current densities and flow rates. This model is used to estimate the performance of a nonaqueous flow battery with electrode and electrolyte properties used from the literature. The optimized cost for this system is estimated for various power and energy levels using component costs provided by vendors. The model allows optimization of design parameters such as electrode thickness, area, flow path design, and operating parameters such as power density, flow rate, and operating SOC range for various application duty cycles. A parametric analysis is done to identify components and electrode/electrolyte properties with the highest impact on system cost for various application durations. A pathway to 100$kWh -1 for the storage system is identified.

25 ENERGY STORAGE↗
DOE OSTI2021

Global Optimization of Chemical Cluster Structures: Methods, Applications, and Challenges

Chemical clusters are relevant to many applications in catalysis, separations, materials, and energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is very important in understanding their chemistry and properties. Computational methods can be used to examine cluster structure, however finding the most stable structure is not simple, particularly as the cluster size increases. Global optimization techniques have long been used to tackle the problem of the most stable structure, but such approaches would have to look for a global minimum, while sampling local minima over the whole potential energy surface as well. In this review, the state-of-the-art theory of global optimization theory is summarized. First, the definition, significance, relation to experiments, and a brief history of global optimization is presented. We then discuss, in more detail, three versatile global optimization methods: the basin hopping, the artificial bee colony algorithm, and the genetic algorithm. We close with some representative application examples of global optimization of clusters since 2016 and the challenges, open questions and opportunities in this field.

Global optimization, Chemical clusters, Artificial↗
DOE OSTI2017

Advances in microscale separations towards nanoproteomics applications

Microscale separations (e.g., liquid chromatography or capillary electrophoresis) coupled with mass spectrometry (MS) has become the primary tool for advanced proteomics, an indispensable technology for gaining understanding of complex biological processes. While significant advances have been achieved in MS-based proteomics, the current platforms still face a significant challenge in overall sensitivity towards nanoproteomics (i.e., with less than 1 g total amount of proteins available) applications such as cellular heterogeneity in tissue pathologies. Herein, we review recent advances in microscale separation techniques and integrated sample processing systems that improve the overall sensitivity and coverage of the proteomics workflow, and their contributions towards nanoproteomics applications.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2017

Multiscale high-order/low-order (HOLO) algorithms and applications

We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Grey-box modeling and application for building energy simulations - A critical review

Grey-box modeling, as one of the three fundamental modeling techniques for building energy models, has many advantages compared with black-box modeling and white-box modeling. Additionally, it has been widely applied to solve problems of building technologies, such as building load estimation, control and optimization, and building-grid integration. However, a thorough review of grey-box modeling is not available. This review study systematically investigated various aspects of grey-box modeling for buildings. First, the fundamental aspects of grey-box modeling are presented, including the theoretical background, modeling of building elements, modeling order, modeling diagram, and order reduction. Second, the detailed modeling approaches are discussed. Third, multiple applications of grey-box modeling are investigated for building energy domain, which are categorized into the following groups: heat dynamics analysis, thermal load estimation, building control and optimization, district/urban scale energy modeling, and building-grid integration. Finally, the available software packages for grey-box modeling are compared. Overall, the challenges of using grey-box modeling can be summarized as follows: (1) the theoretical limitations and assumptions of grey-box modeling are unclear; (2) grey-box model naming convention and structure are confusing; (3) grey-box model creation is vague; (4) suitable applications of grey-box models are unknown; and (5) grey-box models lack unified software solutions for wider adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Applicability of Allen–Heine–Cardona Theory on MO x Metal Oxides and ABO 3 Perovskites: Toward High-Temperature Optoelectronic Applications [plus supplemental information]

We report characterizing the temperature-dependent electronic structures of optoelectronic materials is vital for their application in high-temperature processes. Allen–Heine–Cardona (AHC) theory is an established theory to determine the impact of electron–phonon coupling on the temperature renormalization of the electronic structure. A question of fundamental interest is how applicable this approach can be in a broad range of materials. Herein, we establish the consensus on the temperature dependence of band gaps between AHC predictions and experimental measurements, in a versatile set of nine MO x metal oxides and six ABO 3 perovskites that are utilized as gas sensors. Both calculations and measurements point to the appreciable band gap downshifts within the temperature range relevant to typical high-temperature applications in all examined materials. The correlation between the band gaps and temperatures was quantified at zero- and finite-temperature limits using the analytical parameters of the O’Donnell model. We found fairly comparative agreements between AHC- and experiment-derived parameters, especially for the parameters (S and $\langle\hbar$ω$\rangle$) defining the temperature dependence behavior of band gaps at the finite-temperature regime. Our findings provide important implications for the first-principles modeling of the electronic structures and their temperature dependency, which should be the focus toward high-temperature optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Colloidal Three-Dimensional Covalent Organic Frameworks and Their Application as Porous Liquids

Developing solid porous materials into free-flowing liquids with permanent porosity is a promising strategy for overcoming certain limitations of conventional sorbent materials employed in gas storage and separation applications. The ability to control the pore size and chemical functionalities of organic frameworks gives these particular nanoporous materials distinct advantages over other small cage-like molecules or hollow particles that have been developed into porous liquids. Here, we describe the synthesis of a 3D imine-linked colloidal covalent organic framework (COF)-based porous liquid, designed for efficient size-exclusion of solvent, as well as for long-term stability. By tethering ionic liquids to the colloid surface, the colloids can be dried, purified, and resuspended in a variety of solvents without irreversible aggregation typically observed of COF colloids. Colloid size could be controlled between 50 and 400 nm, with surface areas as high as 800 m2/g. The 3D intertwining morphology of the colloids had pore sizes ranging from 5 to 14 Å, allowing them to efficiently sizeexclude bulky ionic liquids. The COF colloids were stable towards flocculation in an ionic liquid for > 1 year. Permanent porosity was confirmed with a combination of 19F NMR measurements and gas sorption techniques. CO2 and CH4 uptake in these porous liquids increased more than 10 and 20-fold, respectively, over non-porous, neat ionic liquid control samples. The work not only advances the state of COF-based colloid science but also represents a practical advance towards developing more robust, tunable framework-based porous liquid materials for a host of gas storage and separation applications.

Mow, Rachel E.↗
DOE OSTI2014

Application of JLab 12GeV helium refrigeration system for the FRIB accelerator at MSU

The planned approach to have a turnkey helium refrigeration system for the MSU-FRIB accelerator system, encompassing the design, fabrication, installation and commissioning of the 4.5-K refrigerator cold box(es), cold compression system, warm compression system, gas management, oil removal and utility/ancillary systems, was found to be cost prohibitive. Following JLab’s suggestion, MSU-FRIB accelerator management made a formal request to evaluate the applicability of the recently designed 12GeV JLab cryogenic system for this application. The following paper will outline the findings and the planned approach for the FRIB helium refrigeration system.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

High pressure Laue diffraction and its application to study microstructural changes during the α → β phase transition in Si

Here, an approach using polychromatic x-ray Laue diffraction is described for studying pressure induced microstructural changes of materials under pressure. The advantages of this approach with respect to application of monochromatic x-ray diffraction and other techniques are discussed. Experiments to demonstrate the applications of the method have been performed on the α → β phase transition in Si at high pressures using a diamond anvil cell. We present the characterization of microstructures across the α–β phase transition, such as morphology of both the parent and product phases, relative orientation of single-crystals, and deviatoric strains. Subtle inhomogeneous strain of the single-crystal sample caused by lattice rotations becomes detectable with the approach.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

BurstMem: A high-performance burst buffer system for scientific applications

The growth of computing power on large-scale systems requires commensurate high-bandwidth I/O systems. Many parallel file systems are designed to provide fast sustainable I/O in response to applications' soaring requirements. To meet this need, a novel system is imperative to temporarily buffer the bursty I/O and gradually flush datasets to long-term parallel file systems. In this paper, we introduce the design of BurstMem, a high-performance burst buffer system. BurstMem provides a storage framework with efficient storage and communication management strategies. Our experiments demonstrate that BurstMem is able to speed up the I/O performance of scientific applications by up to 8.5× on leadership computer systems.

Wang, Teng↗
DOE OSTI2017

Design Considerations of a Transverse Flux Machine for Direct-Drive Wind Turbine Applications

This paper presents the design considerations of a double-sided transverse flux machine (TFM) for direct-drive wind turbine applications. The TFM has a modular structure with quasi-U stator cores and ring windings. The rotor is constructed with ferrite magnets in a flux-concentrating arrangement to achieve high air gap flux density. The design considerations for this TFM with respect to initial sizing, pole number selection, key design ratios, and pole shaping are presented in this paper. Pole number selection is critical in the design process of a TFM because it affects both the torque density and power factor under fixed magnetic and changing electrical loading. Several key design ratios are introduced to facilitate the design procedure. The effect of pole shaping on back-emf and inductance is also analyzed. These investigations provide guidance toward the required design of a TFM for direct-drive applications. The analyses are carried out using analytical and three-dimensional finite element analysis. A prototype is under construction for experimental verification.

17 WIND ENERGY↗
DOE OSTI2022

Power and Communications Hardware-in-the-Loop CPS Architecture and Platform for DER Monitoring and Control Applications: Preprint

The rapid growth of distributed energy resources (DERs) has prompted increasing interest in the monitoring and control of DERs through hybrid smart grid communications. The deployment of communications and computation has transformed the traditional physical power grid into a smart cyber-physical system (CPS). To fully understand the interdependency between physical grid and cyber netowrks, this study designed a power and communications hardware-in-the-loop (PCommHIL) CPS architecture, which enables the flexible verification of DER monitoring and control with hybrid communications architectures and Internet protocols. Design, development and case study of a PCommHIL testbed for the DER coordination are discussed in detail, and the proposed platform integrates DER devices, Advanced Metering Infrastructures (AMIs), and a suite of hybrid communications networks for distribution automation applications. Case study on DER situational awareness and Volt-Var control validates the efficacy of this proposed PCommHIL platform with hybrid communications designs. Results show that the HAN communication technologies play a critical role in hybrid designs and it is the bottleneck for DER applications. High performance communication technologies are highly recommended to be applied in the HAN for enhanced monitoring and real-time control of DERs.

AMIs↗
DOE OSTI2022

Application of DLT cybersecurity stack to TES applications for a scalable, cybersecure, and interoperable future

Transactive Energy Systems (TES) are expected to improve upon existing grid operations and capabilities by enabling the integration of traditional grid resources with distributed energy resources (DER). Distributed Ledger Technology or DLT (e.g., blockchain) presents itself as a viable instrument to support decentralized, autonomous, and tamper-evident applications, which can be leveraged within TES's ecosystem. DLTs can provide pertinent security controls including access controls, data immutability, and traceability in addition to other well-known advantages such as decentralization and scalability. This work demonstrates the DLT Cybersecurity stack and its applicability to TES-based use-cases/applications. The seven-layer DLT cybersecurity stack is a DLT-agnostic framework that can quickly be used to classify and group the individual needs of an application into the different processing and cybersecurity layers offered by a DLT using a common taxonomy and an architectural mapping framework. This enables application engineers to demystify and strengthen the overall security aspects of their systems while maintaining an open perspective towards features and drawbacks that may hinder their performance in real-world scenarios. The paper leverages the work performed by the IEEE P2418.5 - Blockchain for Energy Standards working group.

Blockchain, blockchain interoperability, Cybersecu↗
DOE OSTI2015

Exploiting Redundancy and Application Scalability for Cost-Effective, Time-Constrained Execution of HPC Applications on Amazon EC2

The use of clouds to execute high-performance computing (HPC) applications has greatly increased recently. Clouds provide several potential advantages over traditional supercomputers and in-house clusters. The most popular cloud is currently Amazon EC2, which provides fixed-cost and variable-cost, auction-based options. The auction market trades lower cost for potential interruptions that necessitate checkpointing; if the market price exceeds the bid price, a node is taken away from the user without warning. We explore techniques to maximize performance per dollar given a time constraint within which an application must complete. Specifically, we design and implement multiple techniques to reduce expected cost by exploiting redundancy in the EC2 auction market. We then design an adaptive algorithm that selects a scheduling algorithm and determines the bid price. We show that our adaptive algorithm executes programs up to seven times cheaper than using the on-demand market and up to 44 percent cheaper than the best non-redundant, auction-market algorithm. We extend our adaptive algorithm to incorporate application scalability characteristics for further cost savings. In conclusion, we show that the adaptive algorithm informed with scalability characteristics of applications achieves up to 56 percent cost savings compared to the expected cost for the base adaptive algorithm run at a fixed, user-defined scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

SU-F-E-02: A Feasibility Study for Application of Metal Artifact Reduction Techniques in MR-Guided Brachytherapy Gynecological Cancer with Titanium Applicators

Purpose: Utilization of Titanium Tandem and Ring (T&R) applicators in MR-guided brachytherapy has become widespread for gynecological cancer treatment. However, Titanium causes magnetic field disturbance and susceptibility artifact, which complicate image interpretation. In this study, metal artifact reduction techniques were employed to improve the image quality and reduce the metal related artifacts. Methods: Several techniques were employed to reduce the metal artifact caused by titanium T&R applicator. These techniques include Metal Artifact Reduction Sequence (MARS), View Angle Tilting (VAT) to correct in-plane distortion, and Slice Encoding for Metal Artifact Correction (SEMAC) for through-plane artifact correction. Moreover, MARS can be combined with VAT to further reduce the in-plane artifact by reapplying the selection gradients during the readout (MARS+VAT). SEMAC uses a slice selective excitation but acquires additional z-encodings in order to resolve off-resonant signal and to reduce through-plane distortions. Results: Comparison between the clinical sequences revealed that increasing the bandwidth reduces the error in measured diameter of T&R. However, the error is larger than 4mm for the best case with highest bandwidth and spatial resolution. MARS+VAT with isotropic resolution of 1mm reduced the error to 1.9mm which is the least among the examined 2D sequences. The measured diameter of tandem from SEMAC+VAT has the closest value to the actual diameter of tandem (3.2mm) and the error was reduced to less than 1mm. In addition, SEMAC+VAT significantly reduces the blooming artifact in the ring compared to clinical sequences. Conclusion: A higher bandwidth and spatial resolution sequence reduces the artifact and diameter of applicator with a slight compromise in SNR. Metal artifact reduction sequences decrease the distortion associated with titanium applicator. SEMAC+VAT sequence in combination with VAT revealed promising results for titanium imaging and can be utilized for MR-guided brachytherapy in gynecological cancer. The author is employee with Philips Healthcare.

60 APPLIED LIFE SCIENCES↗