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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 OSTI2013

Strategies and Lessons-Learned for the Successful Alignment of Contract Cost with the Contract Budget Base (CBB) within the First Year of Contract Award - 13154

In order to provide a sound basis and foundation for integrated Project and Contract change management, it is imperative to ensure the alignment of the Negotiated Contract Costs (NCC) with the Contract Budget Base (CBB), where CBB is defined as the Performance Measurement Baseline (PMB) plus Management Reserve (MR). The achievement of this alignment assures customer and contractor agreement on scope, requirements, quantities, schedule and cost, which facilitates the identification of change conditions and ultimate agreement on the value of changes to the NCC and the CBB. Delays in contract/CBB true up/reconciliation can negatively effect measurement of project progress, limiting owner understanding of liability, and may result in increased contract disagreements and potential claims. The Department of Energy Oak Ridge Office of Environmental Management (OR-EM) and URS - CH2M Oak Ridge LLC (UCOR) achieved alignment of the NCC with the CBB within 10 months of UCOR taking over work on the East Tennessee Technology Park (ETTP) cleanup contract by: 1. Managing as a discrete project; 2. Establishing expectations and setting tone of interactions; 3. Using personnel experienced with Federal Acquisition Regulation (FAR); 4. Partnering; 5. Establishing ombudsmen. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Displacive radiation-induced structural contraction in nanocrystalline ZrN

Nanocrystalline ZrN thin films with 5 nm grain size, prepared by ion beam assisted deposition, maintained their isometric structure upon intensive displacive and ionizing irradiations, indicating an extremely high stability similar to bulk ZrN. However, a unique structural contraction up to 1.42% in lattice parameter occurred only in nano-sized ZrN upon displacive irradiations. A significant nitrogen loss occurred with reduced N:Zr atomic ratio to 0.88, probably due to the production of displaced nitrogen atoms and fast diffusion along grain boundaries in nanocrystalline ZrN matrix. The accumulation of nitrogen vacancies and related strain relaxation may be responsible for the structural contraction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Evaluating the Impact of Residential Solar Contract Cancellations in the United States

The residential solar photovoltaic (PV) market in the United States is growing, despite frequent customer cancellations. Contract cancellations result in lost time and costs that must be borne by installers, often in the form of higher "soft costs" (i.e., non-equipment costs). These costs are often passed on to customers who successfully install PV systems. To date, few studies have attempted to estimate national cancellation rates or model the impacts on installed system costs. In this report, we utilize an installer-provided dataset of 199,665 residential PV-only projects representing about 10% of U.S. installs each year from 2017-2019. With this data, we evaluate cancellation rates and trends from contract signing to install. Next, by leveraging NREL's soft cost model for residential solar, we estimate installer spending through each phase of the pre-install process. Applying our findings on cancellation timelines and rates, we then estimate the potential cost impacts to successful installs from contract cancellations. Our work suggests that the rates and impacts of contract cancellations have been previously underestimated. Namely, we find that cancellations/unsuccessful project are; more common than previous estimates suggest; occur earlier in project timelines, though a significant number happen even after permit/ATB approvals; and contribute significantly to customer acquisition and other soft costs. We also find that cancellation do not appear to be driven by review delays in permitting and interconnection applications.

14 SOLAR ENERGY↗
DOE OSTI2018

Fatiguing contractions increase protein S-glutathionylation occupancy in mouse skeletal muscle

Protein S-glutathionylation is an important reversible post-translational modification implicated in redox signaling. Oxidative modifications to protein thiols can alter the activity of metabolic enzymes, transcription factors, kinases, phosphatases, and the function of contractile proteins. NADPH oxidase (NOX) associated reactive oxygen species (ROS), have been implicated in this redox signaling. However, the extent to which muscle contraction induces oxidative modifications in redox sensitive thiols is not known. In this study, we performed acute fatiguing contractions using an in vivo stimulation protocol on anesthetized CB6F1 (BALB/cBy x C57BL/6) mice. Contraction force and kinetics were monitored by a force transducer throughout the 15 minutes of fatiguing stimulations. The right (stimulated) and left (unstimulated) gastrocnemius were collected 60 minutes after the last stimulation and processed for redox proteomics assay for S-glutathionylation. Using a selective reduction with a glutaredoxin enzyme cocktail and resin-assisted capture technique, we quantified the levels of site-specific protein S-glutathionylation at rest and following fatiguing contractions in gastrocnemius muscles in adult mice. Redox proteomics revealed over 2,200 sites of S-glutathionylation modifications, of which 1290 were significantly increased after fatiguing contractions. Muscle contraction leads to the greatest increase in S-glutathionylation in the mitochondria and extracellular space and the smallest increase in the nucleus. Modification of proteins throughout the muscle fiber, including those associated with metabolism, muscle contraction, and stress response, are consistent with an important role for redox control of muscle physiology and adaptive processes. This study lays the groundwork for future investigation into the altered exercise adaptation associated with chronic conditions, such as sarcopenia, the age-related loss of muscle mass and function.

muscle contraction, Post-translational modificatio↗
DOE OSTI2018

Anisotropic contraction of fiber-reinforced hydrogels

Hydrogels reinforced by fibers can undergo remarkable anisotropic contraction triggered by external stimuli, which has a broad appeal for various applications. However, little is known about how to optimize the contraction anisotropy by tuning the microstructures of fiber-reinforced hydrogels. Here, we investigate the underlying mechanisms controlling the anisotropic contraction of fiber-reinforced hydrogels. Using a simplified model incorporating the directional constraint of the fibers, we show that the contraction anisotropy can be substantially enhanced if the hydrogel is prestretched along the fiber direction. We further explicitly model fibers as periodically distributed cylindrical rods in the finite element simulations, and find that the contraction anisotropy can be maximized by varying the transverse fiber–fiber distance; this maximum anisotropy can be improved by reducing the longitudinal fiber–fiber distance and increasing the fiber length. Our study provides insights into designing novel fiber-reinforced hydrogels, suggesting possible applications in soft robotics, tissue engineering and beyond.

catalysis (homogeneous), solar (photovoltaic), bio↗
DOE OSTI2016

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

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

Utility Energy Service Contract Guide: A Resource for Contracting Officers Working on UESC Projects

A Utility Energy Service Contract (UESC) is a limited-source contract between a federal agency and serving utility for energy management services including energy and water efficiency improvements and demand-reduction services. In a UESC, the Contracting Officer (CO) will lead the acquisition effort, supported by technically knowledgeable staff working closely with the utility, to assess potential, investigate technical and economic feasibility, and ensure a fair and reasonable price for design and implementation of the project. The UESC Guide is a compilation of samples and templates developed as a resource to help COs implement Task Orders (TOs) for UESCs under existing U.S. General Services Administration (GSA) Areawide Contracts (AWC). All samples and templates provided in this guide were derived from actual UESC project contract documents and will be available for download on FEMP’s website at https://www.energy.gov/node/850656. Templates in Microsoft Word can be modified to address each agency’s unique acquisition process.

Federal Energy Management Program↗
DOE OSTI2012

Semi-empirical catalog of early-type galaxy-halo systems: dark matter density profiles, halo contraction and dark matter annihilation strength

With Sloan Digital Sky Survey galaxy data and halo data from up-to-date N-body simulations within the ΛCDM framework we construct a semi-empirical catalog (SEC) of early-type galaxy-halo systems by making a self-consistent bivariate statistical match of stellar mass (M{sub *}) and velocity dispersion (σ) with halo virial mass (M{sub vir}) as demonstrated here for the first time. We then assign stellar mass profile and velocity dispersion profile parameters to each system in the SEC using their observed correlations with M{sub *} and σ. Simultaneously, we solve for dark matter density profile of each halo using the spherical Jeans equation. The resulting dark matter density profiles deviate in general from the dissipationless profile of Navarro-Frenk-White or Einasto and their mean inner density slope and concentration vary systematically with M{sub vir}. Statistical tests of the distribution of profiles at fixed M{sub vir} rule out the null hypothesis that it follows the distribution predicted by dissipationless N-body simulations for M{sub vir}∼<10{sup 13.5} {sup –} {sup 14.5} M{sub s}un. These dark matter profiles imply that dark matter density is, on average, enhanced significantly in the inner region of halos with M{sub vir}∼<10{sup 13.5} {sup –} {sup 14.5} M{sub s}un supporting halo contraction. The main characteristics of halo contraction are: (1) the mean dark matter density within the effective radius has increased by a factor varying systematically up to ≈ 3–4 at M{sub vir} = 10{sup 12} M{sub s}un, and (2) the inner density slope has a mean of (α) ≈ 1.3 with ρ{sub dm}(r)∝r{sup −α} and a halo-to-halo rms scatter of rms(α) ∼ 0.4–0.5 for 10{sup 12} M{sub s}un∼<M{sub vir}∼<10{sup 13} {sup –} {sup 14} M{sub s}un steeper than the NFW profile (α = 1). Based on our results we predict that halos of nearby elliptical and lenticular galaxies can, in principle, be promising targets for γ-ray emission from dark matter annihilation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Constraints on WIMP annihilation for contracted dark matter in the inner Galaxy with the Fermi -LAT

Here, we derive constraints on parameters of generic dark matter candidates by comparing theoretical predictions with the gamma-ray emission observed by the Fermi-LAT from the region around the Galactic Center. Our analysis is conservative since it simply requires that the expected dark matter signal does not exceed the observed emission. The constraints obtained in the likely case that the collapse of baryons to the Galactic Center is accompanied by the contraction of the dark matter are strong. In particular, we find that for b b ¯ and τ + τ – or W + W – dark matter annihilation channels, the upper limits on the annihilation cross section imply that the thermal cross section is excluded for a Weakly Interacting Massive Particle (WIMP) mass smaller than about 700 and 500 GeV, respectively. For the μ + μ – channel, where the effect of the inverse Compton scattering is important, depending on models of the Galactic magnetic field the exclusion of the thermal cross-section is for a WIMP mass smaller than about 150 to 400 GeV. The upper limits on the annihilation cross section of dark matter particles obtained are two orders of magnitude stronger than without contraction. In the latter case our results are compatible with the upper limits from the Galactic halo analysis reported by the Fermi -LAT collaboration for the case in which the same conservative approach without modeling of the astrophysical background is employed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

UO 2 2+ -mediated ring contraction of pyrihexaphyrin: synthesis of a contracted expanded porphyrin-uranyl complex

A new mixed hexaphyrin, pyrihexaphyrin (0.1.0.0.1.0) (1), was prepared via an acid catalyzed cyclization between 5,5'-(pyridine-2,6-diyl)bis(pyrrole-2-carbaldehyde) (2) and terpyrrole (3). This expanded porphyrin undergoes a ring contraction upon metallation with uranyl silylamide [UO 2 [N(SiMe 3 ) 2 ] 2 ] under anaerobic conditions followed by purification over basic aluminum oxide exposed to air. The uranyl-contracted pyrihexaphyrin (0.0.0.0.1.0) complex (4) produced as a result contains a unique structural architecture and possesses a formally 22 π-electron globally aromatic periphery, as inferred from NMR spectroscopy, single crystal X-ray diffraction, and computational analyses. Support for the proposed contraction mechanism came from experimental data and DFT calculations. Proton NMR and mass spectroscopic analysis provided the first insight into expanded porphyrin-mediated activation of the uranyl dication (UO 2 2+ ).

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

Linkages between Policy and Business Innovation in the Development of China’s Energy Performance Contracting Market

China has a large and growing energy performance contracting (EPC) market, which has played a significant role in driving energy efficiency retrofits and improvements This paper evaluates how policies and business innovations have worked synergistically to expand China’s EPC market. We analyze the interconnected roles of four key factors: incentive policies, China’s Five-Year Plans, and business innovations in diversifying contract models and strengthening measurement and verification. We use multiple data sources for the analysis, including detailed information on business choices in 21 pilot projects, industry-wide surveys, and policy information. Our study indicates that supportive policies were important for the initial market development. As the market was established and continued to grow, the private sector started to take initiatives to address the issues that are left out of the policies, which helped overcome certain market barriers and enabled the sustainable growth of the market. Future policies could incorporate the successful innovations from the businesses to ensure long-term development of China’s EPC market. Understanding these policy and business drivers in a holistic way is critical to understanding how China was able to leverage its relatively small policy investments into much larger transformation of its existing buildings and industrial facilities through energy efficiency retrofits. This in turn can be informative for other countries seeking to achieve large-scale energy efficiency improvements.

Zhou, Yuanrong↗
DOE OSTI2017

Contracting for Efficiency: A Best Practices Guide for Energy Efficient Product Procurement

The requirement to buy energy- and water-efficient products applies to federal purchases made through any procurement pathway (e.g., purchase cards, e-retailers, and solicitations) and to a wide variety of federal projects. The Federal Energy Management Program’s (FEMP's) Buy Energy-Efficient Products buyer overview fact sheet and Contracting for Efficiency best practices guide for product procurement are designed to support federal buyers in the purchase of energy- and water-efficient products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Contraction and Expansion of Stimuli-Responsive DNA Bonds in Flexible Colloidal Crystals

DNA surface ligands can be used as programmable “bonds” to control the arrangement of nanoparticles into crystalline superlattices. Here, we study the intrinsic responsiveness of these DNA bonds to changes in local dielectric constant (ε r ) as a new approach to dynamically modulate superlattice structure. Remarkably, ethanol (EtOH) addition can be used to controllably tune DNA bond length from 16 to 3 nm and to increase bond stability by >40 °C, while retaining long-range order and crystal habit. Interestingly, we find that these structural changes, which involve the expansion and contraction of crystals by up to 75% in volume, occur in a cooperative fashion once a critical percentage of EtOH is reached. These results provide a facile and robust approach to create stimuli-responsive lattices, to access high volume fractions, and to improve thermal stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A series of Ln-p-chlorobenzoic acid–terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior

Fifteen new lanthanide p-chlorobenzoic acid complexes, [PrL3(terpy)(H2O)]2 (1), [LnL3(terpy)(H2O)]2 (Ln = Nd (2), Sm (3), and Eu (4)), and [LnL3(terpy)(H2O)] (Ln = Sm (3'), Eu (4'), Gd (5), Tb (6), Dy (7), Ho (8), Er (9), Tm (10), Yb (11), Lu (12), and Y (13); HL: p-chlorobenzoic acid; terpy: 2,2':6',2''-terpyridine), have been synthesized hydrothermally at varying temperatures and structurally characterized by single crystal and powder X-ray diffraction. The series is comprised of binuclear molecular units (Pr–Eu) that give way to mononuclear molecular complexes (Sm–Y) as the lanthanide contraction takes effect. All fifteen complexes feature a tridentate terpyridine ligand, p-chlorobenzoic acid ligands exhibiting multiple binding modes, bidentate, bridging bidentate, and monodentate, and a bound water molecule. Binuclear complexes 1–4 are stitched together via intermolecular interactions: aromatic–aromatic interactions for 1, halogen•••halogen interactions for 2–4, to form 1D chains. Mononuclear complexes 3', 4', and 5–13 utilize supramolecular hydrogen and halogen bonding to form 2D sheets. Visible and near-IR solid state luminescence studies were performed on complexes 2, 3, 3', 4, 4', 6, 7 and 11 and the characteristic visible luminescence of Sm(III), Eu(III), Tb(III), and Dy(III) was exhibited. The near-IR spectra of the Nd(III) and Yb(III) complexes exhibit weak characteristic luminescence, showing that terpy can act as a sensitizing chromophore in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Communication: Automatic code generation enables nuclear gradient computations for fully internally contracted multireference theory

Analytical nuclear gradients for fully internally contracted complete active space second-order perturbation theory (CASPT2) are reported. This implementation has been realized by an automated code generator that can handle spin-free formulas for the CASPT2 energy and its derivatives with respect to variations of molecular orbitals and reference coefficients. The underlying complete active space self-consistent field and the so-called Z-vector equations are solved using density fitting. The implementation has been applied to the vertical and adiabatic ionization potentials of the porphin molecule to illustrate its capability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗