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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Yakutat Tlingit Tribe Energy Conservation Upgrades & Energy Efficiency Measures

The Yakutat Tlingit Tribe (YTT) was awarded Strategic Technical Assistance Response Team (START) assistance from the Department of Energy (DOE) Office of Indian Energy Policy and Programs (OIEPP) in 2014. The intent of the grant was to lower energy consumption at both facilities (Kwaan Plaza which houses the medical clinic and the Community Center which housed the Tribe’s 477 Social Welfare Programs) and to explore technology to provide electricity and heat to the Kwaan Plaza.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Energy Conservation and Hydrogenase Function in Methanogenic Archaea, in Particular the Genus Methanosarcina

The biological production of methane is vital to the global carbon cycle and accounts for ca. 74% of total methane emissions. The organisms that facilitate this process, methanogenic archaea, belong to a large and phylogenetically diverse group that thrives in a wide range of anaerobic environments. Two main subgroups exist within methanogenic archaea: those with and those without cytochromes. Although a variety of metabolisms exist within this group, the reduction of growth substrates to methane using electrons from molecular hydrogen is, in a phylogenetic sense, the most widespread methanogenic pathway. Methanogens without cytochromes typically generate methane by the reduction of CO 2 with electrons derived from H 2 , formate, or secondary alcohols, generating a transmembrane ion gradient for ATP production via an Na +- translocating methyltransferase (Mtr). These organisms also conserve energy with a novel flavin-based electron bifurcation mechanism, wherein the endergonic reduction of ferredoxin is facilitated by the exergonic reduction of a disulfide terminal electron acceptor coupled to either H 2 or formate oxidation. Methanogens that utilize cytochromes have a broader substrate range, and can convert acetate and methylated compounds to methane, in addition to the ability to reduce CO 2 . Cytochrome-containing methanogens are able to supplement the ion motive force generated by Mtr with an H + -translocating electron transport system. In both groups, enzymes known as hydrogenases, which reversibly interconvert protons and electrons to molecular hydrogen, play a central role in the methanogenic process. In this review, we discuss recent insight into methanogen metabolism and energy conservation mechanisms with a particular focus on the genus Methanosarcina.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes

In combined quantum-mechanical/molecular-mechanical (QM/MM) dynamics simulations, the adaptive-partitioning (AP) schemes reclassify atoms on-the-fly as QM or MM in a smooth manner. This yields a mobile QM subsystem with contents that are continuously updated as needed. Here, we tailor the Hamiltonian adaptive many-body correction (HAMBC) proposed by Boreboom et al. [J. Chem. Theory Comput. 2016, 12, 3441] to the permuted AP (PAP) scheme. The treatments lead to the HAMBC-PAP method (HPAP), which both conserves energy and produces accurate solvation structures in the test of “water-in-water” model system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Performance Assurance Planning: Continuous Design-Level Performance of Each Energy Conservation Measure in a Utility Energy Service Contract is Fundamental to Achieving Projected Results

An energy savings performance contract energy sales agreement (ESPC ESA) is a project structure, similar to a power purchase agreement, that uses the multiyear ESPC authority to implement renewable energy projects (referred to as ESA energy conservation measures [ECMs]) on federal buildings or land. The ESA ECM is initially privately owned for tax-incentive purposes, and the federal agency purchases the electricity it produces. An ESPC ESA is one of the most cost-effective methods for implementing on-site distributed energy projects at civilian federal agency sites.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Performance Assurance Planning: Continuous Design-Level Performance of Each Energy Conservation Measure in a Utility Energy Service Contract is Fundamental to Achieving Projected Results

Design-level performance of each energy conservation measure (ECM) in an awarded utility energy service contract (UESC) is fundamental to achieving the projected results through the term of the contract and over the life of the measure. Because the authority for a UESC does not require contractual guarantees of energy, water, or cost savings, FEMP developed a protocol for emphasizing sustained performance to help ensure projected savings are realized. The information and templates offered within this paper reflect responsible project management and oversight, align with UESC best practices, and satisfy the conditions for annual scoring provided by the Office of Management and Budget (OMB). OMB memorandum M-12-21 requires, 'energy savings performance assurances,' 'measurement and verification (M&V) of savings through commissioning and retrocommissioing,' and 'competition or an alternatives analysis as part of the selection process.'

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics

Practical methods for simulating photo-induced dynamics of molecules often rely on a trajectory-description of the nuclear dynamics, incorporating approximate electron-nuclear feedback. Through approximating electron–nuclear correlation terms in the exact factorization approach, trajectory-based methods have been derived and successfully applied to the dynamics of a variety of light-induced molecular processes, capturing quantum (de)coherence effects rigorously. These terms account for the coupling among the trajectories, recovering the nonlocal nature of quantum nuclear dynamics that is completely overlooked in traditional independent-trajectory algorithms. Nevertheless, some of the approximations introduced in the derivation of some of these methods do not conserve the total energy. We analyze energy conservation in the coupled trajectory mixed quantum-classical (CTMQC) algorithm and explore the performance of a modified algorithm, CTMQC-E, where some of the terms are redefined to restore energy conservation. Here, a set of molecular models is used as a test, namely, 2-cis-penta-2,4-dienimium cation, bis(methylene) adamantyl radical cation, butatriene cation, uracil radical cation, and neutral pyrazine.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Draft Environmental Impact Statement for Proposed Energy Conservation Standards for Manufactured Housing

This draft environmental impact statement (EIS) analyzes the impacts related to DOE’s proposed energy conservation standards for manufactured homes. DOE’s proposed energy conservation standards are based on the 2021 International Energy Conservation Code (IECC) and relate to the building thermal envelope; air sealing; installation of insulation; duct sealing; heating, ventilation and air conditioning (HVAC); service hot water systems; mechanical ventilation fan efficacy; and heating and cooling equipment sizing. The draft EIS evaluates DOE’s proposed action (energy conservation standards tiered based the manufacturers retail list price), alternatives to the proposed action (including energy conservation standards tiered based on size of the manufactured home and untiered standards), and a no action alternative. The draft EIS presents analysis of impacts related to (1) energy resources; (2) air resources (including greenhouse gases, climate change, ambient air quality and indoor air quality); (3) health and safety; (4) socioeconomics; and (5) environmental justice.

MacDonell, Margaret↗
DOE OSTI2019

Occupant Behavior for Energy Conservation in Commercial Buildings: Lessons Learned from Competition at the Oak Ridge National Laboratory

Accompanying efforts worldwide to deploy sustainable building technologies shows a pressing need for expanded research on occupant behavior. Discourse is lacking concerning drivers of occupant behavior for energy conservation, especially in the case of commercial buildings. This paper explores potential determinants of occupant behavior for energy conservation in commercial buildings. This is investigated in a case study of a two-month energy conservation competition involving eight office buildings at the Oak Ridge National Laboratory. Four buildings achieved energy savings based on the previous year’s baseline. Potential challenges and success factors of occupant behavior for energy conservation during the competition were explored based on an explanatory research design incorporating energy data, participant interviews, and surveys. The findings suggest that both social and technological aspects may be important drivers of energy conservation. The determinants of occupant behavior for energy conservation in commercial buildings suggested for further research include bottom-up involvement, stakeholder relationship management, targeted information, real-time energy visualization, and mobile social platforms. This paper presents initial implications, with a need for further research on these propositions and on their impacts on occupant behavior. This paper aims to contribute to both academia and practitioners in the arena of commercial building sustainability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Energy Conservation via Hydrogen Cycling in the Methanogenic Archaeon Methanosarcina barkeri

Energy conservation via hydrogen cycling, which generates proton motive force by intracellular H 2 production coupled to extracellular consumption, has been controversial since it was first proposed in 1981. It was hypothesized that the methanogenic archaeon Methanosarcina barkeri is capable of energy conservation via H 2 cycling, based on genetic data that suggest that H 2 is a preferred, but nonessential, intermediate in the electron transport chain of this organism. Here, we characterize a series of hydrogenase mutants to provide direct evidence of H 2 cycling. M. barkeri produces H 2 during growth on methanol, a phenotype that is lost upon mutation of the cytoplasmic hydrogenase encoded by frhADGB , although low levels of H 2 , attributable to the Ech hydrogenase, accumulate during stationary phase. In contrast, mutations that conditionally inactivate the extracellular Vht hydrogenase are lethal when expression of the vhtGACD operon is repressed. Under these conditions, H 2 accumulates, with concomitant cessation of methane production and subsequent cell lysis, suggesting that the inability to recapture extracellular H 2 is responsible for the lethal phenotype. Consistent with this interpretation, double mutants that lack both Vht and Frh are viable. Thus, when intracellular hydrogen production is abrogated, loss of extracellular H 2 consumption is no longer lethal. The common occurrence of both intracellular and extracellular hydrogenases in anaerobic microorganisms suggests that this unusual mechanism of energy conservation may be widespread in nature. IMPORTANCE ATP is required by all living organisms to facilitate essential endergonic reactions required for growth and maintenance. Although synthesis of ATP by substrate-level phosphorylation is widespread and significant, most ATP is made via the enzyme ATP synthase, which is energized by transmembrane chemiosmotic gradients. Therefore, establishing this gradient across the membrane is of central importance to sustaining life. Experimental validation of H 2 cycling adds to a short list of mechanisms for generating a transmembrane electrochemical gradient that is likely to be widespread, especially among anaerobic microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

An explicit, energy-conserving particle-in-cell scheme

We present an explicit temporal discretization of particle-in-cell schemes for the non-relativistic Vlasov equation that results in exact energy conservation when combined with an appropriate spatial discretization. The scheme is inspired by a simple, second-order explicit scheme that conserves energy exactly in the Eulerian context. We show that direct translation to particle-in-cell does not result in strict conservation, but derive a simple correction based on an analytically solvable optimization problem that recovers conservation. While this optimization problem is not guaranteed to have a real solution for every particle, we provide a correction that makes imaginary values extremely rare and still admits $\mathcal{O}$(10 –12 ) fractional errors in energy for practical simulation parameters. We present the scheme in both electrostatic – where we use the Ampère formulation – and electromagnetic contexts. With an electromagnetic field solve, the field update is most naturally linearly implicit, but the more computationally intensive particle update remains fully explicit. Here, we also show how the scheme can be extended to use the fully explicit leapfrog and pseudospectral analytic time-domain (PSATD) field solvers. The scheme is tested on standard kinetic plasma problems, confirming its conservation properties.

Energy conservation↗
DOE OSTI2022

Energy conserving and well-balanced discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry

ABSTRACT This paper presents high-order Runge–Kutta (RK) discontinuous Galerkin methods for the Euler–Poisson equations in spherical symmetry. The scheme can preserve a general polytropic equilibrium state and achieve total energy conservation up to machine precision with carefully designed spatial and temporal discretizations. To achieve the well-balanced property, the numerical solutions are decomposed into equilibrium and fluctuation components that are treated differently in the source term approximation. One non-trivial challenge encountered in the procedure is the complexity of the equilibrium state, which is governed by the Lane–Emden equation. For total energy conservation, we present second- and third-order RK time discretization, where different source term approximations are introduced in each stage of the RK method to ensure the conservation of total energy. A carefully designed slope limiter for spherical symmetry is also introduced to eliminate oscillations near discontinuities while maintaining the well-balanced and total-energy-conserving properties. Extensive numerical examples – including a toy model of stellar core collapse with a phenomenological equation of state that results in core bounce and shock formation – are provided to demonstrate the desired properties of the proposed methods, including the well-balanced property, high-order accuracy, shock-capturing capability, and total energy conservation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Resolution requirements for energy conservation in kinetic plasma simulations

The kinetic codes used to model the coupled dynamics of electromagnetic fields and charged particle transport have requirements for spatial, temporal, and charge resolution. These requirements may vary by the solution technique and scope of the problem. In this report, we investigate the resolution limits in the energy-conserving implicit particle-in-cell code CHICAGO. This report has the narrow aim of determining the maximum acceptable grid spacing for the dense plasmas generated in models of z-pinch target gases and power-flow electrode plasmas. In the 2D sample problem, the plasma drifts without external forces with velocity of 10 cm/µs. Simulations are scaled by plasma density to maintain uniform strides across the plasma and from the plasma to the boundaries. Additionally, the cloud-in-cell technique is used with 400 particles per cell and Δ t = 0.85× the Courant limit. For the linear cloud distribution, the criterion for conserving energy is Δ E/E tot < 0.01 for 50,000 time steps. The grid resolution is determined to crudely be Δx ≲ 3 l s , where l s is the electron collisionless skin depth. For the second-order cloud distribution the criterion is Δ E/E tot < 0.005 yielding Δx ≤ 15 l s . These scalings are functions of the chosen v d , Δ t , particles-per-cell, and number of steps.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Energy-conserving perfect-conductor boundary conditions for an implicit, curvilinear Darwin particle-in-cell algorithm

We propose here a conservative prescription for perfect-conductor boundary conditions for a Darwin particle-in-cell (PIC) model on curvilinear meshes and arbitrarily shaped boundaries. The Darwin model is a subset of Maxwell's equation in which the electromagnetic mode (light wave) has been analytically removed. This renders the Darwin formulation elliptic, instead of hyperbolic. Historically, Darwin-PIC practitioners have had difficulty implementing a well-posed set of boundary conditions for realistic applications. In this study, we demonstrate the well-posedness and effectiveness of a simple boundary-condition prescription for perfect conductors of specified potential and of arbitrary shape in multiple dimensions, using a recently developed conservative, implicit Darwin-PIC algorithm. The boundary conditions conserve the electromagnetic energy, and preserve the Coulomb gauge of the vector potential, ∇ · A = 0 exactly. We demonstrate that global energy is exactly conserved in curvilinear, simply-connected domains in the specific case of particles reflecting off perfect conductors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

ECsim-CYL: Energy Conserving Semi-Implicit particle in cell simulation in axially symmetric cylindrical coordinates

Based on the previously developed Energy Conserving Semi Implicit Method (ECsim) code, we present its cylindrical implementation, called ECsim-CYL, to be used for axially symmetric problems. The main motivation for the development of the cylindrical version is to greatly improve the computational speed by utilizing cylindrical symmetry. The ECsim-CYL discretizes the field equations in two-dimensional cylindrical coordinates using the finite volume method. For the particle mover, it uses a modification of ECsim’s mover for cylindrical coordinates by keeping track of all three components of velocity vectors, while only keeping radial and axial coordinates of particle positions. In this paper, we describe the details of the algorithm used in the ECsim-CYL and present a series of tests to validate the accuracy of the code including a wave spectrum in a homogeneous plasma inside a cylindrical waveguide and free expansion of a spherical plasma ball in vacuum. Finally, the ECsim-CYL retains the stability properties of ECsim and conserves the energy within machine precision, while accurately describing the plasma behavior in the test cases.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Potential benefits of cool walls on residential and commercial buildings across California and the United States: Conserving energy, saving money, and reducing emission of greenhouse gases and air pollutants

Solar-reflective “cool” walls reduce absorption of sunlight by the building envelope, which may decrease cooling load in warm weather and increase heating load in cool weather. Changes to annual heating, ventilation, and air conditioning (HVAC) energy use depend on climate, wall construction, wall orientation, building geometry, HVAC efficiency, and operating schedule. Changes to annual energy cost and energy-related emissions further vary with local energy prices and emission factors. In this work, we used EnergyPlus to perform over 100,000 whole-building energy simulations, spanning 10 different building categories, three building vintages, 16 California climate zones, and 15 United States (U.S.) climate zones. We find that cool walls yielded annual source energy, energy cost, and emission savings in all California climate zones and in warm U.S. (ASHRAE) climate zones. In California, annual whole-building HVAC energy cost savings were 4.0–27% in single-family homes, 0.5–3.8% in medium office buildings, and 0.0–8.5% in stand-alone retail stores. In warm U.S. climates—zones 1A (Miami, FL) through 4B (Albuquerque, NM)—annual HVAC energy cost savings were 1.8–8.3% in single-family homes, 0.3–4.6% in medium office buildings, and 0.5–11% in stand-alone retail stores. California and U.S. fractional source energy and emission savings were comparable to fractional energy cost savings. Per unit surface area modified, cool-wall savings often exceeded cool-roof savings because building codes typically prescribe much less wall insulation than roof insulation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Energy conservation in real-time nuclear–electronic orbital Ehrenfest dynamics

Real-time nuclear–electronic orbital Ehrenfest (RT-NEO-Ehrenfest) dynamics methods provide a first-principles approach for describing nonadiabatic molecular processes with nuclear quantum effects. For an efficient description of proton transfer within RT-NEO-Ehrenfest dynamics, the basis function center associated with the quantum proton can be allowed to move classically. Here, this traveling proton basis (TPB) approach effectively captures proton quantum dynamics, although its energy conservation behavior is not yet fully satisfactory. Two recently proposed TPB approaches, in principle, conserve the extended energy, which includes both the system energy and the kinetic energy associated with the proton basis function center. Herein, a thermostatted TPB approach is proposed to improve the conservation of the system energy, excluding the kinetic energy associated with the proton basis function center. In this approach, the quantum proton dynamics are modulated by dynamically rescaling the proton momentum operator to maintain the system energy conservation. With the excited-state intramolecular proton transfer of o-hydroxybenzaldehyde as an example, this approach is shown to significantly improve the system energy conservation while preserving the accuracy of the quantum proton dynamics as achieved in the original TPB approach.

Ehrenfest dynamics↗
DOE OSTI2025

A dynamic protein interactome drives energy conservation and electron flux in Thermococcus kodakarensis

ABSTRACT Life is supported by energy gains fueled by catabolism of a wide range of substrates, each reliant on the selective partitioning of electrons through redox ( red uction and ox idation) reactions. Electron flux through tunable and regulated protein interactions provides dynamic routes for energy conservation, but how electron flux is regulated in vivo , particularly for archaeal metabolisms that support rapid growth at the thermodynamic limits of life, is poorly understood. Identification of bona fide in vivo protein assemblies and how such assemblies dictate the totality of electron flux is critical to our understanding of the regulation imposed on metabolism, energy production, and energy conservation. Here, 25 key proteins in central metabolic redox pathways in the model, genetically accessible, hyperthermophilic archaeon Thermococcus kodakarensis , were purified to reveal an extensive, dynamic, and tightly interconnected network of protein interactions that responds to environmental cues (such as the availability of various reductive sinks) to direct electron flux to maximize energetic gains. Interactions connecting disparate functions suggest many catabolic and anabolic activities occur in spatial proximity in vivo , and while protein complexes have been historically defined under optimal conditions, many of these complexes appear to maintain alternative partnerships in changing conditions. The totality of the results obtained redefines our understanding of in vivo assemblies driving ancient metabolic strategies supporting the growth of modern Archaea. IMPORTANCE Given the potential for rational genetic manipulations of biofuel- and biotech-promising archaea to yield transformative results for major markets, it is a priority to define how the metabolisms of such species are controlled, at least in part, by in vivo protein assemblies, and from such, define routes of energy flux that can be most efficiently altered toward biofuel or biotechnological gains. Proteinaceous electron carriers (PECs, such as ferredoxins) offer the potential for specific protein–protein interactions to coordinate selective reductive flow. Employing the model, genetically accessible, hyperthermophilic archaeon, Thermococcus kodakarensis , we establish the metabolic protein interactome of 25 key redox proteins, revealing that each redox active protein has a dynamic partnership profile, suggesting catabolic and anabolic activities may occur in concert and in temporal and spatial proximity in vivo . These results reveal critical importance in evaluating the newly identified partnerships and their role and utility in providing regulated redox flux in T. kodakarensis .

Williams, Sere A. (ORCID:0000000235509590)↗
DOE OSTI2024

Accuracy of the explicit energy-conserving particle-in-cell method for under-resolved simulations of capacitively coupled plasma discharges

The traditional explicit electrostatic momentum-conserving particle-in-cell algorithm requires strict resolution of the electron Debye length to deliver numerical stability and accuracy. The explicit electrostatic energy-conserving particle-in-cell algorithm alleviates this constraint with minimal modification to the traditional algorithm, retaining its simplicity, ease of parallelization, and acceleration on modern supercomputing architectures. In this article, we apply the algorithm to model a one-dimensional radio frequency capacitively coupled plasma discharge relevant to industrial applications. The energy-conserving approach closely matches the results from the momentum-conserving algorithm and retains accuracy even for cell sizes up to 8 times the electron Debye length. For even larger cells, the algorithm loses accuracy due to poor resolution of steep gradients within the radio frequency sheath. Accuracy can be recovered by adopting a non-uniform grid, which resolves the sheath and allows for cell sizes up to 32 times the electron Debye length in the quasi-neutral bulk of the discharge. The effect is an up to 8 times reduction in the number of required simulation cells, an improvement that can compound in higher-dimensional simulations. We therefore consider the explicit energy-conserving algorithm as a promising approach to significantly reduce the computational cost of full-scale device simulations and a pathway to delivering kinetic simulation capabilities of use to industry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗