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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Method of improved performance in metal electrodes for batteries

Disclosed are methods for pre-conditioning or pre-treating the surface of a metal (e.g., lithium) electrode such that the cycle life and efficiency of the electrode within an electrochemical cell are improved through the prevention of dendrite growth. The pretreatment process includes the use of an alternating current to modify the surface properties of the metal electrode, such that a more uniform flux of metal ions is transferred across the electrode-electrolyte Interface in subsequent electrodeposition and electrodissolution processes. As a result, an electrode treated with such a process exhibits improved performance and durability, including markedly lower overpotentials and largely improved metal (e.g., lithium) retention in strip plate tests as compared with untreated electrodes.

Dasgupta, Neil P.↗

DOE OSTI2021

Soft-switching, high performance single-phase AC-DC converter

A soft-switching, high-performance single-phase alternating current (AC)-direct current (DC) converter is provided. The AC-DC converter described herein provides a new circuit topology for single-stage, single-phase or multi-phase AC-DC power conversion with power factor correction (PFC) and galvanic isolation using a high-frequency isolation transformer. The AC-DC converter improves power conversion efficiency and power density—two of the most important metrics for a power converter. It achieves soft switching for high frequency switches in the circuit, leading to higher efficiency and lower electromagnetic interference (EMI).

Ayyanar, Rajapandian↗

DOE OSTI2022

Three-phase differential mode converter

A system for charging a battery includes three sub-modules, each receiving a respective phase of a three-phase alternating current (AC) signal. The three sub-modules cooperate to transform the respective phases of the three-phase AC signal to a direct current (DC) signal by passing the respective phases of the three-phase AC signal through a respective semiconductor device configured to discontinuously modulate the respective phase of the three-phase AC signal to convert it to a DC signal provided to the battery to charge the battery.

Mazumder, Sudip K.↗

DOE OSTI2023

SHASTA-HELP: Hydrogen Estimator for Logistical Planning Tool

Underground reservoirs offer a promising option for medium- and long-term hydrogen storage that could potentially be safer and more cost-effective than surface alternatives. Currently, there are three underground hydrogen storage (UHS) facilities in the United States, which operate solely in salt caverns and store hydrogen primarily for industrial purposes. Salt formations favorable for geologic storage are geographically limited in the U.S. If a hydrogen economy is to develop, expansion of UHS to other geologic formations such as depleted gas fields and saline aquifers will be necessary to increase the availability of hydrogen storage. While research into the feasibility of storing hydrogen in these formations is ongoing, tools and methodologies are needed for characterizing the hydrogen storage potential in these reservoirs. We introduce the Hydrogen Estimator for Logistical Planning (HELP) tool from the Subsurface Hydrogen Assessment, Storage, and Technology Acceleration (SHASTA) project (https://edx.netl.doe.gov/shasta). SHASTA-HELP is a suite of web-based tools that have numerous capabilities for UHS project planning.

Haeri, Foad↗

DOE OSTI2023

PSI/J: A Portable Interface for Submitting, Monitoring, and Managing Jobs

It is generally desirable for high-performance computing (HPC) applications to be portable between HPC systems, for example to make use of more performant hardware, make effective use of allocations, and to co-locate compute jobs with large datasets. Unfortunately, moving scientific applications between HPC systems is challenging for various reasons, most notably that HPC systems have different HPC schedulers. We introduce PSI/J, a job management abstraction API intended to simplify the construction of software components and applications that are portable over various HPC scheduler implementations. We argue that such a system is both necessary and that no viable alternative currently exists. We analyze similar notable APIs and attempt to determine the factors that influenced their evolution and adoption by the HPC community. We base the design of PSI/J on that analysis. We describe how PSI/J has been integrated in three workflow systems and one application, and also show via experiments that PSI/J imposes minimal overhead.

Hategan, Mihael↗

DOE OSTI2024

Three-phase differential mode converter

Mazumder, Sudip K.↗

DOE OSTI2021

Multicriterion Benefit Evaluation of Deploying New Battery Technology with Increased Capacity at a Generic Nuclear Power

Nuclear power plant (NPP) safety improvements are routinely made by plant licensees and regulators. Examples of plant improvements include accident-tolerant fuel, diverse and flexible coping strategies, passive cooling systems, and increased battery capacity. A combined use of these plant improvements could lead to plant designs with enhanced resilience, allowing NPPs to better cope with both internal and external hazards and keep the plant operating safely, efficiently, and economically. This paper focuses on increased battery capacity and evaluates the potential costs and benefits of deploying batteries with increased capacities at a generic boiling water reactor (BWR) NPP. A multicriterion benefit evaluation methodology is used for the cost-benefit analysis. Ten alternatives for extending battery capacity are developed, including nine alternatives to provide additional direct-current power and one alternative to provide additional alternating-current power. Potential benefits of reducing plant risk are quantified through incorporating the alternatives into loss-of-offsite-power scenarios of the generic BWR probabilistic risk assessment model. Potential costs of implementing the alternatives are qualitatively discussed and ranked. The alternatives are then compared based on their impacts on plant risk and economics.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2021

Multicriterion Benefit Evaluation of Deploying New Battery Technology with Increased Capacity at a Generic Nuclear Power Plant

This presentation is prepared for the DOE LWRS RISA Pathway Stakeholder Engagement Meeting on October 13-14, 2021. Nuclear power plant (NPP) safety improvements are routinely made by plant licensees and regulators. Examples of plant improvements include accident-tolerant fuel, diverse and flexible coping strategies, passive cooling systems, and increased battery capacity. A combined use of these plant improvements could lead to plant designs with enhanced resilience, allowing NPPs to better cope with both internal and external hazards and keep the plant operating safely, efficiently, and economically. This presentation focuses on increased battery capacity and evaluates the potential costs and benefits of deploying batteries with increased capacities at a generic boiling water reactor (BWR) NPP. A multicriterion benefit evaluation methodology is used for the cost-benefit analysis. Ten alternatives for extending battery capacity are developed, including eight alternatives to provide additional direct-current power and one alternative to provide additional alternating-current power. Potential benefits of reducing plant risk are quantified through incorporating the alternatives into loss-of-offsite-power scenarios of the generic BWR probabilistic risk assessment model. Potential costs of implementing the alternatives are qualitatively discussed and ranked. The alternatives are then compared based on their impacts on plant risk and economics.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

AC loss and contact resistance in REBCO CORC ® , Roebel, and stacked tape cables

Abstract Many high-temperature superconductor (HTS) applications require superconducting cables with high currents while operating in an alternating magnetic field. HTS cables should be composed of numerous superconducting tapes to achieve the required current capacity. Alternating current and magnetic fields cause AC losses in such cables and can provoke conductor instability. AC losses and contact resistances were measured of several cable designs based on commercially available REBCO tapes at the University of Twente. The AC loss was measured under identical conditions for eight REBCO conductors manufactured according to three types of cabling methods—CORC ® (Conductor on Round Core), Roebel, and stacked tape, including a full-size REBCO CICC (cable in conduit conductor). The measurements were done at T = 4.2 K without transport current in a sinusoidal AC magnetic field of 0.4 T amplitude and frequencies from 5 to 55 mHz. The AC loss was measured simultaneously by calibrated gas flow calorimeter utilizing the helium boil-off method and by the magnetization method using pick-up coils. Also, the AC loss of two CORC® conductors and a Roebel cable was measured at 77 K. Each conductor was measured with and without background field of 1 T. The measured AC coupling loss in the CORC ® and Roebel conductors is negligible at 4.2 K for the applied conditions while at 77 K coupling loss was observed for all conductors. The absence of coupling loss at 4.2 K can be explained by shielding of the conductor interior; this is confirmed with measurement and calculation of the penetration field of CORC ® and Roebel cables. The inter-tape contact resistance was measured for CORC ® and stacked tape samples at 4.2 and 77 K. It was demonstrated that a short heat treatment of CORC ® conductor with solder-coated tapes activates tape-to-tape soldering and decreases the contact resistance. The reduction of contact resistance by two orders in magnitude to tens of nΩm is comparable with the interstrand contact resistance in ITER Nb 3 Sn type conductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Interregional Transmission Operational Coordination (IRTOC)

This report presents a modeling and evaluation framework developed through the Inter-Regional Transmission Operational Coordination (IRTOC) project to study market-to-market (M2M) congestion management across day-ahead and real-time markets. The framework extends the Sienna platform through Sienna Decomposition, a multi-stage evaluation architecture that enables flexible representation of multiple regions and systematic assessment of alternative market coordination designs. Additional modeling capabilities include reserve deliverability constraints, High-Voltage Direct Current (HVDC) optimization for Alternating Current (AC) congestion management, and several real-time distributed coordination algorithms. Case studies using the RTS-GMLC test system and a large-scale Eastern Interconnection model demonstrate that the framework can evaluate alternative coordination structures and quantify their economic and operational impacts. The proposed framework provides a scalable platform for analyzing inter-regional coordination strategies in large-scale electricity markets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

FLC Notable Technology Award Oleo-Furan Surfactant

It’s a well-kept secret that laundry detergents are harmful to the environment. The important chemical in laundry detergent, called a surfactant. Surfactants are the workhorses of laundry detergent and soaps, and they're attracted to things like grease on your hands and dirt in your clothes to wash them away. Surfactants are used in everything from shampoo, hand soap, laundry detergent, and cosmetics. Many current surfactants are made from petroleum feedstock. These petroleum-derived building blocks come with a big carbon footprint. As the need for greener feedstock alternatives for synthesizing surfactants became obvious, manufacturers turned to natural oils, such as palm kernel and coconut oil. However, these oils are costly, particularly in areas where they are not domestically produced, and using them for surfactant synthesis competes with the food supply chain. Surfactants deactivate and do not work in hard water. Hard water is common - 85% of the U.S. water supply is considered hard because of the presence of small metal ions. These metal ions cover the surfactants making them useless. To solve this problem, many manufacturers add chemicals called chelators to bind the metal ions and make the water less hard, enhancing the effectiveness of the laundry detergent. However, this solution leads to more problems, including increased cost of detergent production and a large output of environmentally harmful chemicals. There remains a strong need for effective laundry detergents that do not negatively impact the environment and are available to consumers at an affordable cost. The American Cleaning Institute (ACI), a surfactant manufacturer organizing body, is emphasizing commitment to developing bio-renewable alternatives to current surfactants in laundry detergents. That’s why chemists at SIRONIX Renewables partnered with Los Alamos National Laboratory to further develop Oleo-furan surfactants (OFS). OFS are a new class of non-toxic, non-irritating surfactants for laundry detergent. It is the only surfactant that performs effectively in cold and hard water without chelators to bind the metal ions in hard water. OFS can be produced readily from sustainable, bio-derived molecules. They are multi-functional molecules - performing the role of a surfactant and a chelator in one - and are completely bio-degradable. OFS does not rely on petroleum feedstock and is synthesized from non-food, bio-renewable cellulosic feedstock. OFS solves each of the pertinent problems facing detergents and our environment today.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Eddy Current Lift-Off Sensor Model

Eddy current sensors measure the lift-off or distance between the sensor head and a conducting surface. The sensor consists of a conducting coil carrying an alternating electrical current. By Faraday’s Law, a magnetic field is generated within the coil. This field induces electrical current loops within the conducting surface which in turn generate a magnetic field. This induced magnetic field opposes the coil magnetic field and thus, the current in the coil. This reduces the inductance of the coil while increasing its resistance. The strength of the induced magnetic field and consequently the coil inductance are proportional to the lift-off of the coil from the surface. Thus, a measurement of the coil inductance may yield a measure of the lift-off.

42 ENGINEERING↗

DOE OSTI2023

EXPERIMENTAL AND MODELING STUDY OF MOLECULAR TRANSPORT PHENOMENA IN COMPLEX LIQUID MIXTURES USING COVALENT ORGANIC FRAMEWORK MEMBRANES

Currently, 10-15% of the world’s energy is consumed by chemical separations, and more than 80% of that is used to purify organic liquids and recover rare earth elements and critical minerals. Membrane nanofiltration presents an energy-efficient, cost-effective, and eco-friendly alternative to current separation technologies. These complex liquid environments require high- performance, chemically-resistant membrane materials. Recently discovered Covalent Organic Frameworks (COFs) possess desirable properties as membrane materials for complex liquid separations. COFs are highly crystalline, chemically and thermally stable, with tunable size and charge. COFs, especially two-dimensional highly crystalline COFs, possess narrow pore-size distribution and controlled porous structures. Two-dimensional COFs are also resistant to swelling, another feature beneficial in complex liquid separations. Molecular interactions in complex liquid systems often dictate final membrane performance, resulting in a discrepancy between designed and apparent COF properties. Understanding and resolving this discrepancy is critical in utilizing COF membranes as a viable alternative to energy-intensive separations. The primary objective of this thesis was to use a commercially available COF TpPa-1 as a platform to investigate how mixed solvent environment affects COF membrane performance via experimental and molecular modeling studies. Specifically, the effects of solution pH, solvent- solvent-solute interactions in mixed solvents, and COF chemistry were carefully examined on apparent TpPa-1 pore size and permeability and targeted solute rejection of COF membranes for neat and mixed solvents. Experimental COF filtration performance was compared and corroborated with modeling predication. Findings from this study will provide guidance for future COF design, synthesis, and desired functional COF membrane performance.

Barnes, Anastasia↗

DOE OSTI2020

Electrode-molecule energy level offsets in a gold-benzene diamine-gold single molecule tunnel junction

One means for describing electron transport across single molecule tunnel junctions (MTJs) is to use density functional theory (DFT) in conjunction with a nonequilibrium Green’s function formalism. This description relies on interpreting solutions to the Kohn–Sham (KS) equations used to solve the DFT problem as quasiparticle (QP) states. Many practical DFT implementations suffer from electron self-interaction errors and an inability to treat charge image potentials for molecules near metal surfaces. For MTJs, the overall effect of these errors is typically manifested as an overestimation of electronic currents. Correcting KS energies for self-interaction and image potential errors results in MTJ current–voltage characteristics in close agreement with measured currents. An alternative transport approach foregoes a QP picture and solves for a many-electron wavefunction on the MTJ subject to open system boundary conditions. It is demonstrated that this many-electron method provides similar results to the corrected QP picture for electronic current. The analysis of these two distinct approaches is related through corrections to a junction’s electronic structure beyond the KS energies for the case of a benzene diamine molecule bonded between two gold electrodes.

Szepieniec, Mark S.↗

DOE OSTI2021

INTEGRATE - Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design technology can capture complex non-linear aerodynamic effects while being 100 times faster than design approaches based on computational fluid dynamics. This project enables innovation in wind turbine design by accelerating time to market through higher-accuracy early design iterations to reduce the levelized cost of energy. INVERTIBLE NEURAL NETWORKS Researchers are leveraging a specialized invertible neural network (INN) architecture along with the novel dimension-reduction methods and airfoil/blade shape representations developed by collaborators at the National Institute of Standards and Technology (NIST) learns complex relationships between airfoil or blade shapes and their associated aerodynamic and structural properties. This INN architecture will accelerate designs by providing a cost-effective alternative to current industrial aerodynamic design processes, including: - Blade element momentum (BEM) theory models: limited effectiveness for design of offshore rotors with large, flexible blades where nonlinear aerodynamic effects dominate - Direct design using computational fluid dynamics (CFD): cost-prohibitive - Inverse-design models based on deep neural networks (DNNs): attractive alternative to CFD for 2D design problems, but quickly overwhelmed by the increased number of design variables in 3D problems AUTOMATED COMPUTATIONAL FLUID DYNAMICS FOR TRAINING DATA GENERATION - MERCURY FRAMEWORK The INN is trained on data obtained using the University of Marylands (UMD) Mercury Framework, which has with robust automated mesh generation capabilities and advanced turbulence and transition models validated for wind energy applications. Mercury is a multi-mesh paradigm, heterogeneous CPU-GPU framework. The framework incorporates three flow solvers at UMD, 1) OverTURNS, a structured solver on CPUs, 2) HAMSTR, a line based unstructured solver on CPUs, and 3) GARFIELD, a structured solver on GPUs. The framework is based on Python, that is often used to wrap C or Fortran codes for interoperability with other solvers. Communication between multiple solvers is accomplished with a Topology Independent Overset Grid Assembler (TIOGA). NOVEL AIRFOIL SHAPE REPRESENTATIONS USING GRASSMAN SPACES We developed a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation as an analytic generative model, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data , (ii) improved low-dimensional parameter domain for inferential statistics informing design/manufacturing, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes. TECHNOLOGY TRANSFER DEMONSTRATION - COUPLING WITH NREL WISDEM Researchers have integrated the inverse-design tool for 2D airfoils (INN-Airfoil) into WISDEM (Wind Plant Integrated Systems Design and Engineering Model), a multidisciplinary design and optimization framework for assessing the cost of energy, as part of tech-transfer demonstration. The integration of INN-Airfoil into WISDEM allows for the design of airfoils along with the blades that meet the dynamic design constraints on cost of energy, annual energy production, and the capital costs. Through preliminary studies, researchers have shown that the coupled INN-Airfoil + WISDEM approach reduces the cost of energy by around 1% compared to the conventional design approach. This page will serve as a place to easily access all the publications from this work and the repositories for the software developed and released through this pr...

aerodynamics↗

DOE OSTI2020

Biopower: Impact of Biofuels Deployment to Replace Petroleum Liquids in Stationary Power Applications

Petroleum-based liquids are used in a portion of power generation applications in the United States, predominantly in the New England, Middle Atlantic, South Atlantic, and Pacific-Noncontiguous regions. Power plants that burn petroleum liquids, such as distillate or residual fuel oils, are generally used for short periods to accommodate peak electricity demands. The Energy Information Administration (EIA) estimated the U.S. consumption of petroleum liquids for electricity generation at 27 million barrels in 2018, representing a cost of $2.4 billion annually. This study assesses the potential to displace all or part of the petroleum liquids in U.S. power generation with biofuels. The biofuels for this application are assumed to be derived from terrestrial feedstocks, with conversion routes of both fast pyrolysis (bio-oil) and hydrothermal liquefaction (bio-crude). Regional models were used to assess the availability and cost of three different base materials: clean wood, forest residues, and corn stover; each was evaluated in the laboratory at small or experimental scales for conversion to bio-oil or bio-crude. The estimated biofuel production quantities depend on equivalent heating versus the current heavy fuel. In this report, the availability of each type of biomass for each section of the U.S. Census division is estimated using a conservative broker price (in each case) of $ 80 per dry tonne. The results show that the petroleum-liquid power generation in each of the Census Divisions could be supplied by one or more of the feedstocks evaluated. For all regions, clean wood supplies (only) could provide ample supply. For all but two regions (Middle Atlantic and New England), forest residues alone are sufficient. Finally, for all regions but three (Middle Atlantic, New England, and South Atlantic), corn stover alone is adequate. The Minimum Fuel Selling Price (MFSP) of bio-oil and bio-crude were also estimated for each feedstock type and Census Division. This analysis showed that fast pyrolysis bio-oil projections to be lower (14% on average) than current wholesale petroleum-based heating oil prices in each of the regions, assuming 100 dry tonnes/day processing capacity. However, bio-crude predictions were significantly higher (2X) in all cases. The effect of biorefinery size was also quantified. Based on the preliminary results in this study, it is apparent the biofuels could be an economical alternative for current petroleum liquids in U.S. power generation. However, additional research is needed to determine the necessary biofuel characteristics to support existing generation equipment. It is recommended that both power generation and biofuel production stakeholders to be engaged to outline the research and testing needed to identify the technical hurdles to enable the opportunity.

02 PETROLEUM↗

DOE OSTI2024

Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid

As the SARS-CoV-2 virus continues to spread and mutate, it remains important to focus not only on preventing spread through vaccination but also on treating infection with direct-acting antivirals (DAA). The approval of Paxlovid, a SARS-CoV-2 main protease (M pro ) DAA, has been significant for treatment of patients. A limitation of this DAA, however, is that the antiviral component, nirmatrelvir, is rapidly metabolized and requires inclusion of a CYP450 3A4 metabolic inhibitor, ritonavir, to boost levels of the active drug. Serious drug–drug interactions can occur with Paxlovid for patients who are also taking other medications metabolized by CYP4503A4, particularly transplant or otherwise immunocompromised patients who are most at risk for SARS-CoV-2 infection and the development of severe symptoms. Developing an alternative antiviral with improved pharmacological properties is critical for treatment of these patients. By using a computational and structure-guided approach, we were able to optimize a 100 to 250 μM screening hit to a potent nanomolar inhibitor and lead compound, Mpro61. In this study, we further evaluate Mpro61 as a lead compound, starting with examination of its mode of binding to SARS-CoV-2 M pro . In vitro pharmacological profiling established a lack of off-target effects, particularly CYP450 3A4 inhibition, as well as potential for synergy with the currently approved alternate antiviral, molnupiravir. Development and subsequent testing of a capsule formulation for oral dosing of Mpro61 in B6-K18-hACE2 mice demonstrated favorable pharmacological properties, efficacy, and synergy with molnupiravir, and complete recovery from subsequent challenge by SARS-CoV-2, establishing Mpro61 as a promising potential preclinical candidate.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

DLMP of Competitive Markets in Active Distribution Networks: Models, Solutions, Applications, and Visions

Traditionally, the electric distribution system operates with uniform energy prices across all system nodes. However, as the adoption of distributed energy resources (DERs) propels a shift from passive to active distribution network (ADN) operation, a distribution-level electricity market has been proposed to manage new complexities efficiently. In addition, distribution locational marginal price (DLMP) has been established in the literature as the primary pricing mechanism. The DLMP inherits the LMP concept in the transmission-level wholesale market but incorporates characteristics of the distribution system, such as high $R/X$ ratios and power losses, system imbalance, and voltage regulation needs. The DLMP provides a solution that can be essential for competitive market operation in future distribution systems. This article first provides an overview of the current distribution-level market architectures and their early implementations. Next, the general clearing model, model relaxations, and DLMP formulation are comprehensively reviewed. The state-of-the-art solution methods for distribution market clearing are summarized and categorized into centralized, distributed, and decentralized methods. Then, DLMP applications for the operation and planning of DERs and distribution system operators (DSOs) are discussed in detail. Finally, visions of future research directions and possible barriers and challenges are presented.

42 ENGINEERING↗