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DOE OSTI2019

Solution-Based Adaptivity as a Paradigm for Computational Fluid Dynamics

This is the final report for the DOE Early Career award. Through innovation in error estimation and solution-based adaptation methods we strive to dramatically improve the efficiency and robustness of computational science and engineering simulations. By solution-based error estimation and adaptation we refer to techniques for estimating numerical error and efficiently reducing it through targeted discretization changes. In such a setting, high-order methods play a key role, though they are just one mechanism for efficient accuracy improvement. Other mechanisms include well known mesh size and stretching optimization, as well as less-practiced mesh motion and basis optimization. With additional work on the latter, we are integrating these techniques into one adaptive suite that maximizes efficiency and robustness of Computational Fluid Dynamics (CFD) calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1999

Streamlining Software Aspects of Certification: Report on the SSAC Survey

The aviation system now depends on information technology more than ever before to ensure safety and efficiency. To address concerns about the efficacy of software aspects of the certification process, the Federal Aviation Administration (FAA) began the Streamlining Software Aspects of Certification (SSAC) program. The SSAC technical team was commissioned to gather data, analyze results, and propose recommendations to maximize efficiency and minimize cost and delay, without compromising safety. The technical team conducted two public workshops to identify and prioritize software approval issues, and conducted a survey to validate the most urgent of those issues. The SSAC survey, containing over two hundred questions about the FAA's software approval process, reached over four hundred industry software developers, aircraft manufacturers, and FAA designated engineering representatives. Three hundred people responded. This report presents the SSAC program rationale, survey process, preliminary findings, and recommendations.

Hayhurst, Kelly J.↗

DOE OSTI2023

Data Center Facility Monitoring with Physics Aware Approach

U.S. Department of Energy's National Renewable Energy Laboratory (NREL) hosts one of the world's most energy-efficient HPC data centers; this system uses component-level warm-water liquid cooling to efficiently remove heat from the data center and capture it for reuse in the building or rejection to the atmosphere. Given the complexity of this system, building data-driven tools for holistically monitoring and operating the entire data center is a priority for ensuring maximal efficiency and resiliency. In this advanced smart facility, over one million metrics are recorded per minute using state-of-the-art streaming data architecture and software to capture and process the state of the system in real time. Here we detail two efforts to effectively analyze, visualize, and interpret this large volume streaming data. We have developed a novel, flexible system for identifying and visualizing individual metric anomalies and component performance across the data center through automatic metadata extraction and physically-motivated visualization for quick interpretation. Additionally, to directly connect system maintenance to data stream processing we explore a physics informed multi-metric drift and anomaly detection application to detect scale-build up in heat exchangers.

anomaly detection↗

NASA NTRS1977

An algorithm for constrained maximization of the trace of a matrix

The 'trace' of a rectangular matrix is defined as the trace of a square matrix obtained by appending null rows (or columns) at the bottom (or right) end. The problem of maximizing the trace of a matrix, by permutations and mergers of rows and columns with constraints on the resulting size of the matrix, is of interest in comparison of maps and image-change detection. This correspondence presents an algorithm based on dynamic programming for efficient maximization of trace.

Ramapriyan, H. K.↗

DOE OSTI2022

Deep reinforcement learning based optimization for a tightly coupled nuclear renewable integrated energy system

New ways to integrate energy systems to maximize efficiency are being sought to meet carbon emissions goals. Nuclear-renewable integrated energy system (NR-IES) concepts are a leading solution that couples a nuclear power plant with renewable energy, hydrogen generation plants, and energy storage systems, such that thermal and electrical power are dispatchable to fulfill grid-flexibility requirements while also producing hydrogen and maximizing revenue. Here, this paper introduces a deep reinforcement learning (DRL)-based framework to address the complex decision-making tasks for NR-IES. The objective is to maximize revenue by generating and selling hydrogen and electricity simultaneously according to their time-varying prices while keeping the energy flow in the subsystems in balance. A Python-based simulator for a NR-IES concept has been developed to integrate with OpenAI Gym and Ray/RLlib to enable an efficient and flexible computational framework for DRL research and development. Three state-of-the-art DRL algorithms have been investigated, including two-delayed deep deterministic policy gradient (TD3), soft-actor critic (SAC), proximal policy optimization (PPO), to illustrate DRL’s superiority for controlling NR-IES by comparing it with a conventional control approach, particle swarm optimization (PSO). In this effort, PPO has shown more-stable performance and also better generalization capability than SAC and TD3. Comparisons with PSO have demonstrated that, on average, PPO can achieve 13.9% more mean episode returns from the training process and 29.4% more mean episode returns from the testing process when different hydrogen-production targets are applied.

08 HYDROGEN↗

DOE OSTI2020

Real-World Evaluation of National Energy Efficiency Potential of Cold Storage Evaporator Technology in the Context of Engine Start-Stop Systems

National concerns over energy consumption and emissions from the transportation sector have prompted regulatory agencies to implement aggressive fuel economy targets for light-duty vehicles through the U.S. National Highway Traffic Safety Administration/Environmental Protection Agency (EPA) Corporate Average Fuel Economy (CAFE) program. Automotive manufacturers have responded by bringing competitive technologies to market that maximize efficiency while meeting or exceeding consumer performance and comfort expectations. In a collaborative effort among Toyota Motor Corporation, Argonne National Laboratory (ANL), and the National Renewable Energy Laboratory (NREL), the real-world savings of one such technology is evaluated. A commercially available Toyota Highlander equipped with two-phase cold storage technology was tested at ANL’s chassis dynamometer testing facility. The cold storage technology maintains the thermal state of air-conditioning evaporators to enable longer and more frequent engine-off operation in vehicles equipped with start-stop functionality. Test results were analyzed and provided to NREL where a novel simulation framework was developed and calibrated to the test data. The vehicle model was then exercised over a large set of real-world drive cycle and ambient condition data to estimate national-level fuel economy benefits. Results indicate that the cold storage evaporator provided national fuel consumption reductions of 0.113% relative to a conventional evaporator in the same vehicle. In addition, when the cold storage evaporator engine stop/start was enabled for any temperature and the baseline was limited to the EPA menu, Start and Stop credit assumption of 27°C, a national fuel savings of 0.497% was found. Fuel savings resulted from a combination of extended engine-off duration during idle events and increased frequency of deceleration fuel cutoff, both enabled by the ability of the cold storage evaporator to maintain thermal state in situations where air conditioning is active.

DIRECT ENERGY CONVERSION↗

DOE OSTI2015

Design of a high efficiency 30 kW boost composite converter

An experimental 30 kW boost composite converter is described in this paper. The composite converter architecture, which consists of a buck module, a boost module, and a dual active bridge module that operates as a DC transformer (DCX), leads to substantial reductions in losses at partial power points, and to significant improvements in weighted efficiency in applications that require wide variations in power and conversion ratio. A comprehensive loss model is developed, accounting for semiconductor conduction and switching losses, capacitor losses, as well as dc and ac losses in magnetic components. Based on the developed loss model, the module and system designs are optimized to maximize efficiency at a 50% power point. Experimental results for the 30 kW prototype demonstrate 98.5%peak efficiency, very high efficiency over wide ranges of power and voltage conversion ratios, as well as excellent agreements between model predictions and measured efficiency curves.

42 ENGINEERING↗

DOE OSTI2020

Design-controlled synthesis of IrO 2 sub-monolayers on Au nanoflowers: marrying plasmonic and electrocatalytic properties

We develop herein plasmonic–catalytic Au–IrO 2 nanostructures with a morphology optimized for efficient light harvesting and catalytic surface area; the nanoparticles have a nanoflower morphology, with closely spaced Au branches all partially covered by an ultrathin (1 nm) IrO 2 shell. This nanoparticle architecture optimizes optical features due to the interactions of closely spaced plasmonic branches forming electromagnetic hot spots, and the ultra-thin IrO 2 layer maximizes efficient use of this expensive catalyst. This concept was evaluated towards the enhancement of the electrocatalytic performances towards the oxygen evolution reaction (OER) as a model transformation. The OER can play a central role in meeting future energy demands but the performance of conventional electrocatalysts in this reaction is limited by the sluggish OER kinetics. We demonstrate an improvement of the OER performance for one of the most active OER catalysts, IrO 2 , by harvesting plasmonic effects from visible light illumination in multimetallic nanoparticles. We find that the OER activity for the Au–IrO 2 nanoflowers can be improved under LSPR excitation, matching best properties reported in the literature. Our simulations and electrocatalytic data demonstrate that the enhancement in OER activities can be attributed to an electronic interaction between Au and IrO 2 and to the activation of Ir–O bonds by LSPR excited hot holes, leading to a change in the reaction mechanism (rate-determinant step) under visible light illumination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Study of the epidermis ablation effect on the efficiency of optical clearing of skin in vivo {sup *}

We present the results of a comparative analysis of optical immersion clearing of skin in laboratory animals in vivo with and without preliminary ablation of epidermis. Laser ablation is implemented using a setup based on a pulsed erbium laser ( λ = 2940 nm). The size of the damaged region amounted to 6 × 6 mm, the depth being smaller than 50 μm. As an optical clearing agent (OCA), use is made of polyethylene glycol (PEG-300). Based on optical coherence tomography, we use the single scattering model to estimate the scattering coefficient in the process of optical clearing in 2 regions at depths of 50−170 μm and 150−400 μm. The results show that skin surface ablation leads to the local oedema of the affected region that increases the scattering coefficient. However, the intense evaporation of water from the ablation zone facilitates the optical clearing at the expense of tissue dehydration, particularly in the upper layers. The assessment of the optical clearing efficiency shows that the efficiency exceeding 30% can be achieved at a depth from 50 to 170 μm in 120 min after ablation, as well as after the same ablation with subsequent application of PEG-300, which increases the efficiency of the immersion method by almost 1.8 times. At a depth from 150 to 400 μm, dehydration of upper layers cannot completely compensate for an increase in light scattering by dermis after epidermis ablation. The additional effect of OCA enhances the optical clearing of skin at the expense of improving the refractive index matching between dermis components, but the maximal efficiency of optical clearing in 120 min does not exceed 6%. (biophotonics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2006

Alpha-Voltaic Sources Using Diamond as Conversion Medium

A family of proposed miniature sources of power would exploit the direct conversion of the kinetic energy of a particles into electricity in diamond semiconductor diodes. These power sources would function over a wide range of temperatures encountered in terrestrial and outer-space environments. These sources are expected to have operational lifetimes of 10 to 20 years and energy conversion efficiencies >35 percent. A power source according to the proposal would include a pair of devices like that shown in the figure. Each device would contain Schottky and p/n diode devices made from high-band-gap, radiation-hard diamond substrates. The n and p layers in the diode portion would be doped sparsely (<1014 cm-3) in order to maximize the volume of the depletion region and thereby maximize efficiency. The diode layers would be supported by an undoped diamond substrate. The source of a particles would be a thin film of 244Cm (half-life 18 years) sandwiched between the two paired devices. The sandwich arrangement would force almost every a particle to go through the active volume of at least one of the devices. Typical a particle track lengths in the devices would range from 20 to 30 microns. The a particles would be made to stop only in the undoped substrates to prevent damage to the crystalline structures of the diode portions. The overall dimensions of a typical source are expected to be about 2 by 2 by 1 mm. Assuming an initial 244Cm mass of 20 mg, the estimated initial output of the source is 20 mW (a current of 20 mA at a potential of 1 V).

Patel, Jagadish U.↗

NASA NTRS2004

Algorithm for Controlling a Centrifugal Compressor

An algorithm has been developed for controlling a centrifugal compressor that serves as the prime mover in a heatpump system. Experimental studies have shown that the operating conditions for maximum compressor efficiency are close to the boundary beyond which surge occurs. Compressor surge is a destructive condition in which there are instantaneous reversals of flow associated with a high outlet-to-inlet pressure differential. For a given cooling load, the algorithm sets the compressor speed at the lowest possible value while adjusting the inlet guide vane angle and diffuser vane angle to maximize efficiency, subject to an overriding requirement to prevent surge. The onset of surge is detected via the onset of oscillations of the electric current supplied to the compressor motor, associated with surge-induced oscillations of the torque exerted by and on the compressor rotor. The algorithm can be implemented in any of several computer languages.

Benedict, Scott M.↗

DOE OSTI2016

Design and construction of a cascading pressure reactor prototype for solar-thermochemical hydrogen production

Recent work regarding the efficiency maximization for solar thermochemical fuel production in two step cycles has led to the design of a new type of reactor—the cascading pressure reactor—in which the thermal reduction step of the cycle is completed in multiple stages, at successively lower pressures. This approach enables lower thermal reduction pressures than in single-staged reactors, and decreases required pump work, leading to increased solar to fuel efficiencies. In this work we report on the design and construction of a prototype cascading pressure reactor and testing of some of the key components. We specifically focus on the technical challenges particular to the design, and their solutions.

14 SOLAR ENERGY↗

DOE OSTI2016

Waste Management 2016 300-296 Soil Remediation Project. Developing Innovative Solutions to Overcome Design Challenges - 16229

The 324 Building is a non-reactor, Hazard Category 2, Nuclear Facility located in the 300 Area of the U.S. Department of Energy (DOE) Hanford Site, located near Richland, Washington. The building is undergoing deactivation, decommissioning, decontamination, and demolition by Washington Closure Hanford (WCH) under the River Corridor Closure Contract. During the Cold War Era, the facility was used for chemical and radionuclide processing associated with nuclear weapons production. Historical records indicate that in October 1986, approximately 516 L of a concentrated liquid waste stream containing cesium-137 and strontium-90 was spilled onto the floor of B-Cell. B-Cell is located in the Radiochemical Engineering Complex (REC) of the 324 Building. It is estimated that this spill contained approximately 1.3 million curies of radioactivity. Some fraction of the spill was recovered; however, an unknown quantity was released into the soil beneath the 324 Building through an undetected breach in the B-Cell floor sump. Unknown quantities of water were used after the spill to wash items contained in B-Cell. When B-Cell was taken out of service, wastes being removed from B-Cell were placed in Grout Containers (GCs) and stabilized using a particulate grout. In the course of grouting activities, grout was spilled on the floor of B-Cell, eventually filling the sump. The primary scope of this project is to design, test, and implement a process capable of removing and isolating contaminated soil below B-Cell. This remediation effort has been divided into two removal zones identified as the primary and secondary removal zones. Based on current assumptions and estimates, the primary phase of this cleanup effort will remove roughly 156.45 m{sup 3} of highly contaminated materials. B-Cell debris, particulate grout, and the floor slab and liner comprise about 21.24 m{sup 3} of the total. The remaining 135.21 m3 will be contaminated soil. All of this material must be disposed of within the existing 324 Facility or packaged for disposal at the Hanford site. The objective of this project is to remove the B-Cell floor and highly contaminated underlying soils from beneath B-Cell using remote equipment to reduce the radiation levels and allow open-air excavation for the remaining contaminated soil. The challenges and subsequent technological solutions encountered from the Conceptual Design phase to the 100% Design Issued For Fabrication/Issued For Construction (IFF/IFC) consisted in part of the following: Design an efficient remote cleanup strategy for highly contaminated Low Level Waste (LLW) given the unknowns. Maintain contamination control down to 18 feet below B-Cell in a highly radioactive environment (12,870 R/Hr Cs-137 and Sr-90). Perform facility upgrades to enable remediation process implementation while maintaining integrity of pre-existing facility structure and license. Designing first-of-a-kind remote equipment for use in high radiation areas. Developing first-of-a-kind operations sequences for remote equipment while minimizing usage of original facility equipment (i.e. cranes, manipulators, etc.). Conducting time-motion studies of operations sequences to maximize efficiency while keeping dose As Low As Reasonably Achievable (ALARA) in a high dose environment. Construction of a full scale mockup to conduct performance testing in a clean environment and train the work force to operate the equipment. Overcoming scope, budget and schedule constraints associated with a fast-track DOE project. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRSDate not supplied

NASA’s Efficient Quiet Integrated Propulsors (Equip) Technical Challenge

Advances in aircraft propulsor technology - ducted and unducted - are key elements to developing a sustainable aviation future. Increasing propulsive efficiency comes with significant challenges. The long-term trend in aircraft engine design has been towards higher bypass ratios to increase efficiency and decrease noise. Current designs are pushing against limits on engine size; the engine must fit under the wing and overcome the nacelle weight, aerodynamic drag, and airframe integration penalties associated with an ultra-high bypass ratio. The next-generation ducted engines will have shorter inlets and smaller rotor-stator spacing to minimize nacelle area. This increases the potential for non-uniform flow at the fan face and less area for acoustic liners. Unducted engines eliminate the nacelle penalty while presenting challenges to noise and operability in distorted flow environments. The overall diameter in both cases raises questions about engine-airframe integration to maximize efficiency gains and minimize installation penalties. The National Aeronautics and Space Administration (NASA) Advanced Air Vehicles Program (AAVP) approved the Efficient Quiet Integrated Propulsor (EQuIP) Technical Challenge (TC) under the Advanced Air Transport Technology (AATT) Project to work on next-generation propulsor technologies in collaboration with NASA’s government and industry partners in the Sustainable Flight National Partnership. The EQuIP TC leverages NASA resources with Federal Aviation Administration (FAA) and industry investments under the FAA’s Continuous Lower Energy Emissions and Noise (CLEEN) program to address technical challenges on the propulsor subject to the flow field imposed by the engine-airframe-flight environment. The EQuIP TC complements NASA Aeronautics Research Mission Directorate’s (ARMD) existing investments in sustainable aviation for the next-generation of commercial aircraft and contributes to meeting the noise and efficiency goals set by the Sustainable Flight National Partnership and U.S. Aviation Climate Action Plan. This paper introduces the EQuIP TC, describes key parts of its development, and presents the background research used to scope its impact.

Propulsion↗

DOE OSTI2019

The GREATS H β + [O iii] luminosity function and galaxy properties at z ∼ 8: walking the way of JWST

ABSTRACT The James Webb Space Telescope will allow to spectroscopically study an unprecedented number of galaxies deep into the reionization era, notably by detecting [O iii]λλ4959, 5007, and H β nebular emission lines. To efficiently prepare such observations, we photometrically select a large sample of galaxies at z ∼ 8 and study their rest-frame optical emission lines. Combining data from the GOODS Re-ionization Era wide-Area Treasury from Spitzer (GREATS) survey and from HST we perform spectral energy distribution (SED) fitting, using synthetic SEDs from a large grid of photoionization models. The deep Spitzer/IRAC data combined with our models exploring a large parameter space enables to constrain the [O iii] + H β fluxes and equivalent widths for our sample, as well as the average physical properties of z ∼ 8 galaxies, such as the ionizing photon production efficiency with $\log (\xi _\mathrm{ion}/\mathrm{erg}^{-1}\mathrm{Hz})\ge 25.77$. We find a relatively tight correlation between the [O iii] + H β and UV luminosity, which we use to derive for the first time the [O iii]λλ4959, 5007 + H β luminosity function (LF) at z ∼ 8. The z ∼ 8 [O iii] + H β LF is higher at all luminosities compared to lower redshift, as opposed to the UV LF, due to an increase of the [O iii] + H β luminosity at a given UV luminosity from z ∼ 3 to z ∼ 8. Finally, using the [O iii] + H β LF, we make predictions for JWST/NIRSpec number counts of z ∼ 8 galaxies. We find that the current wide-area extragalactic legacy fields are too shallow to use JWST at maximal efficiency for z ∼ 8 spectroscopy even at 1 h depth and JWST pre-imaging to ≳30 mag will be required.

De Barros, S.↗

DOE OSTI2021

The future evolution of energy-water-agriculture interconnectivity across the US

Abstract Energy, water, and agricultural resources across the globe are highly interconnected. This interconnectivity poses science challenges, such as understanding and modeling interconnections, as well as practical challenges, such as efficiently managing interdependent resource systems. Using the US as an example, this study seeks to define and explore how interconnectivity evolves over space and time under a range of influences. Concepts from graph theory and input–output analysis are used to visualize and quantify key intersectoral linkages using two new indices: the ‘Interconnectivity Magnitude Index’ and the ‘Interconnectivity Spread Index’. Using the Global Change Analysis Model (GCAM-USA), we explore the future evolution of these indices under four scenarios that explore a range of forces, including socioeconomic and technological change. Analysis is conducted at both national and state level spatial scales from 2015 to 2100. Results from a Reference scenario show that resource interconnectivity in the US is primarily driven by water use amongst different sectors, while changes in interconnectivity are driven by a decoupling of the water and electricity systems, as power plants become more water-efficient over time. High population and GDP growth results in relatively more decoupling of sectors, as a larger share of water and energy is used outside of interconnected sector feedback loops. Lower socioeconomic growth results in the opposite trend. Transitioning to a low-carbon economy increases interconnectivity because of the expansion of purpose-grown biomass, which strengthens the connections between water and energy. The results highlight that while some regions may experience similar sectoral stress projections, the composition of the intersectoral connectivity leading to that sectoral stress may call for distinctly different multi-sector co-management strategies. The methodology we introduce here can be applied in diverse geographical and sectoral contexts to enable better understanding of where, when, and how coupling or decoupling between sectors could evolve and be better managed.

Khan, Zarrar (ORCID:0000000281478553)↗

DOE OSTI2021

Multiobjective Dynamic Optimization for Optimal Load-Following of Natural Gas Combined Cycle Power Plants under Stress Constraints

With the increasing penetration of intermittent renewable energy sources into the electric grid, there is an associated need for conventional thermal power plants that are designed to operate at base-load conditions to cycle their load rapidly and frequently and operate under low-load conditions. Fast load-following operations lead to plant efficiency loss and the reduction of equipment life. A high-fidelity dynamic model of a natural gas combined cycle power plant, with rigorous equipment level submodels, is developed to capture the plant transient performance and the thermomechanical stress evolution at the high-pressure drum is computed to assess the drum life consumption. Stress evolution is modeled for the location of the edge at the drum/downcomer junction that experiences high circumferential stress amplitude during the fast load-following operation, leading to higher fatigue damage than locations considered under existing design standards. A dynamic optimization problem is solved for optimal load-following operation. Depending on the value of the stress constraint and the desired ramp rate, satisfying the desired stress constraint may be infeasible without relaxing the ramp rate. A multiobjective dynamic optimization problem is solved using a lexicographic approach that minimizes ramp rate relaxation and maximizes efficiency while satisfying stress constraints, avoiding spraying to saturation, and maintaining main steam and reheat steam temperature within bounds. It was observed that the optimal ramp rate can be highly nonlinear as opposed to the industry-standard linear ramp rate. Nonlinear optimal ramp-rate profiles not only help to avoid stress constraints that may be unavoidable by using the linear profile but also result in higher efficiency than the linear profile. Furthermore, the study shows that there is a strong tradeoff between the relaxation in the plant ramp rate and the time-average thermal efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Oxygen Reduction at Very Low Overpotential on Nanoporous Ag Catalysts

Here we report a monolithic nanoporous Ag (np-Ag) material, synthesized using the dealloying method, as high-performance catalysts for ORR in alkaline media. As shown in Scheme 1, when there is insufficient potential input, the O 2 molecules are more likely to rebound off from a planar electrode surface (i.e. bulk polycrystalline metal, films made from nanoparticles or nanowires) before they could be reduced. In contrast, they are more likely to be trapped inside the monolithic nanoporous structure, contacting with catalytic surface for multiple time, which greatly enhances the chance for them to be fully reduced. As a result, the np-Ag catalyst is able to achieve an equivalent or better ORR performance than the state-of the-art Pt/C catalyst at low overpotentials, which is most desired in electrochemical energy applications for maximizing efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗