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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 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 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 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↗
DOE OSTI2016

“Straining” to Separate the Rare Earths: How the Lanthanide Contraction Impacts Chelation by Diglycolamide Ligands

The subtle energetic differences underpinning adjacent lanthanide discrimination are explored with diglycolamide ligands. Our approach converges liquid–liquid extraction experiments with solution-phase X-ray absorption spectroscopy (XAS) and density functional theory (DFT) simulations, spanning the lanthanide series. The homoleptic [(DGA)3Ln]3+ complex was confirmed in the organic extractive solution by XAS, and this was modeled using DFT. An interplay between steric strain and coordination energies apparently gives rise to a nonlinear trend in discriminatory lanthanide ion complexation across the series. Our results highlight the importance of optimizing chelate molecular geometry to account for both coordination interactions and strain energies when designing new ligands for efficient adjacent lanthanide separation for rare-earth refining.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The Design and Implementation of a Secure Datastore Based on Ethereum Smart Contract

In this paper, we present a secure datastore based on an Ethereum smart contract. Our research is guided by three research questions. First, we will explore to what extend a smart-contract-based datastore should resemble a traditional database system. Second, we will investigate how to store the data in a smart-contract-based datastore for maximum flexibility while minimizing the gas consumption. Third, we seek answers regarding whether or not a smart-contract-based datastore should incorporate complex processing such as data encryption and data analytic algorithms. The proposed smart-contract-based datastore aims to strike a good balance between several constraints: (1) smart contracts are publicly visible, which may create a confidentiality concern for the data stored in the datastore; (2) unlike traditional database systems, the Ethereum smart contract programming language (i.e., Solidity) offers very limited data structures for data management; (3) all operations that mutate the blockchain state would incur financial costs and the developers for smart contracts must make sure sufficient gas is provisioned for every smart contract call, and ideally, the gas consumption should be minimized. Our investigation shows that although it is essential for a smart-contract-based datastore to offer some basic data query functionality, it is impractical to offer query flexibility that resembles that of a traditional database system. Furthermore, we propose that data should be structured as tag-value pairs, where the tag serves as a non-unique key that describes the nature of the value. We also conclude that complex processing should not be allowed in the smart contract due to the financial burden and security concerns. The tag-based secure datastore designed this way also defines its applicative perimeter, i.e., only applications that align with our strategy would find the proposed datastore a good fit. Those that would rather incur higher financial cost for more data query flexibility and/or less user burden on data pre- and post-processing would find the proposed database too restrictive.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Causal horizons, geodesic completeness and stability in slow contraction cosmology

We show that cosmological models with a semi-infinite phase of slow contraction (ekpyrosis) possess a combination of properties that can address several fundamental problems in cosmology, otherwise faced in contracting de Sitter phases or standard big bang expansion. In particular, flat or open slow contraction admits a stable past attractor that asymptotes to Minkowski space and is past geodesically complete, as well as a stable, flat, homogeneous, and isotropic future attractor with negligible Weyl curvature (and, therefore, negligible gravitational entropy). In bouncing cosmologies, this contracting attractor is terminated by a smooth, non-singular bounce that transforms the attractor properties at the end of contraction into the initial conditions for the subsequent expanding phase. Cosmologies incorporating a slow contraction phase have no particle horizon and therefore avoid the causal horizon problem. The past Minkowski attractor also generates an initial spectrum of vacuum-like quantum fluctuations on all wavelengths. Moreover, because the averaged expansion rate along past-directed geodesics is non-positive, models incorporating a semi-infinite phase of slow contraction also evade the Borde–Guth–Vilenkin theorem. By contrast, contracting de Sitter space possesses a finite particle horizon and becomes unstable in the presence of scalar fields, matter, or radiation.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗
DOE OSTI2018

Assessment of left ventricular contraction patterns using gated SPECT MPI to predict cardiac resynchronization therapy response

Background: The U-shaped left ventricular (LV) contraction pattern, identified by MRI or echocardiography, is associated with improved CRT response. Gated SPECT MPI can measure both myocardial viability and mechanical dyssynchrony in a single scan. The aim of this study is to examine the relationship of the LV contraction pattern and the response of CRT in patients with left bundle branch block (LBBB). Methods: Fifty-eight patients who met CRT guidelines and who had pre-CRT MPI were enrolled. Myocardial segments with tracer uptake < 50% of maximum were considered as scar. The LV contraction pattern was considered as U-shaped or non-U-shaped (U-shaped has a block line in the direction of contraction propagation). CRT response was defined as an increase in left ventricular ejection fraction ≥ 5% after 6-month follow-up. Results: Twenty-eight patients (48%) had a U-shaped contraction pattern and thirty patients (52%) had a non-U-shaped contraction pattern. The U-shaped group showed a significantly higher response rate than the non-U-shaped group (90% vs. 57%; P = 0.005). By univariate and multivariate logistic regression analysis, the U-shaped pattern was an independent predictor of CRT response. Conclusion: Non-invasive gated SPECT MPI can characterize LV mechanical contraction patterns. A U-shaped contraction pattern identified is associated with improved CRT response. This may prove useful for improved patient selection for CRT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗