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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

27 AlNMR chemical shift of Al(OH)$^{-}_{4}$ calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems

Predicting accurate nuclear magnetic resonance chemical shieldings relies upon cancellation of different types of errors between the theoretically calculated shielding constant of the analyte of interest and the reference. Often, the intrinsic error in computed shieldings due to basis sets, approximations in the Hamiltonian, description of the wave function, and dynamic effects is nearly identical between the analyte and reference, yet if the electronic structure or sensitivity to local environment differs dramatically, this cannot be taken for granted. Detailed prior work has examined the octahedral trivalent cation Al(H 2 O)$^{3+}_{6}$, accounting for ab initio intrinsic errors. However, the use of this species as a reference for the chemically distinct tetrahedral anion Al(OH)$^{-}_{4}$ requires an understanding of how these errors cancel, in order to define the limits of accurately predicting 27 Al chemical shielding in Al(OH)$^{-}_{4}$. In this work, we estimate the absolute shielding of the 27 Al nucleus in Al(OH)$^{-}_{4}$ at the coupled cluster level (515.1± 5.3 ppm). Shielding sensitivity to the choice of method approximation and atomic basis sets used has been evaluated. Solvent and thermal effects are assessed through ensemble averaging techniques using ab-initio molecular dynamics. The contribution of each type of intrinsic error is assessed for the Al(H 2 O)$^{3+}_{6}$ and Al(OH)$^{-}_{4}$ ions, revealing significant differences that fundamentally hamper the ability to accurately calculate the 27 Al chemical shift of Al(OH)$^{-}_{4}$ from first principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Introducing the Baseline Performance Reference (BPR) for Irradiance in PV System Applications

Photovoltaic (PV) reference cells, modules, and arrays respond in a complex manner to the many variables that define their operating environment. PV reference cells for irradiance measurement have similarities but also differences to operational PV modules. For this reason, a more neutral and a well-defined generic PV reference cell is needed, whose characteristics are close enough to most operational PV devices to make stable performance indicators possible but whose characteristics are not necessarily identical to any of them. This poster describes a new well-defined reference quantity for outdoor PV measurements, called the baseline performance reference (BPR).

baseline performance reference↗
DOE OSTI2014

Description of electron transfer in the ground and excited states of organic donor–acceptor systems by single-reference and multi-reference density functional methods

Electron transfer in the ground and excited states of a model donor–acceptor (D–A) system is investigated using the single-reference and multi-reference density functional theory (DFT) methods. To analyze the results of the calculations, a simple two-site multi-reference model was derived that predicts a stepwise electron transfer in the S{sub 0} state and a wave-like dependence of the S{sub 1} electron transfer on the external stimulus. The standard single-reference Kohn-Sham (KS) DFT approach and the time-dependent DFT (TDDFT) method failed to describe the correct dependence of the S{sub 0} and S{sub 1} electron transfer on the external electric field applied along the donor–acceptor system. The multi-reference DFT approach, the spin-restricted ensemble-referenced KS (REKS) method, was able to successfully reproduce the correct behavior of the S{sub 0} and S{sub 1} electron transfer on the applied field. The REKS method was benchmarked against experimentally measured gas phase charge transfer excitations in a series of organic donor–acceptor complexes and displayed its ability to describe this type of electronic transitions with a very high accuracy, mean absolute error of 0.05 eV with the use of the standard range separated density functionals. On the basis of the calculations undertaken in this work, it is suggested that the non-adiabatic coupling between the S{sub 0} and S{sub 1} states may interfere with the electron transfer in a weakly coupled donor–acceptor system. It is also suggested that the electronic excitation of a D{sup +}–A{sup −} system may play a dual role by assisting the further electron transfer at certain magnitudes of the applied electric field and causing the backward transfer at lower electric field strengths.

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

Scalings pertaining to current sheet disruption mediated by the plasmoid instability

Analytic scaling relations are derived for a phenomenological model of the plasmoid instability in an evolving current sheet, including the effects of reconnection outflow. Two scenarios are considered, where the plasmoid instability can be triggered either by an injected initial perturbation or by the natural noise of the system (here referred to as the system noise). The two scenarios lead to different scaling relations because the initial noise decays when the linear growth of the plasmoid instability is not sufficiently fast to overcome the advection loss caused by the reconnection outflow, whereas the system noise represents the lowest level of fluctuations in the system. The leading order approximation for the current sheet width at disruption takes the form of a power law multiplied by a logarithmic factor, and from that, the scaling relations for the wavenumber and the linear growth rate of the dominant mode are obtained. When the effects of the outflow are neglected, the scaling relations agree, up to the leading order approximation, with previously derived scaling relations based on a principle of least time. As a result, the analytical scaling relations are validated with numerical solutions of the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

SU-E-T-570: New Quality Assurance Method Using Motion Tracking for 6D Robotic Couches

Purpose: To accommodate geometrically accurate patient positioning, a robotic couch that is capable of 6-degrees of freedom has been introduced. However, conventional couch QA methods are not sufficient to enable the necessary accuracy of tests. Therefore, we have developed a camera based motion detection and geometry calibration system for couch QA. Methods: Employing a Visual-Tracking System (VTS, BonitaB10, Vicon, UK) which tracks infrared reflective(IR) markers, camera calibration was conducted using a 5.7 × 5.7 × 5.7 cm{sup 3} cube attached with IR markers at each corner. After positioning a robotic-couch at the origin with the cube on the table top, 3D coordinates of the cube’s eight corners were acquired by VTS in the VTS coordinate system. Next, positions in reference coordinates (roomcoordinates) were assigned using the known relation between each point. Finally, camera calibration was completed by finding a transformation matrix between VTS and reference coordinate systems and by applying a pseudo inverse matrix method. After the calibration, the accuracy of linear and rotational motions as well as couch sagging could be measured by analyzing the continuously acquired data of the cube while the couch moves to a designated position. Accuracy of the developed software was verified through comparison with measurement data when using a Laser tracker (FARO, Lake Mary, USA) for a robotic-couch installed for proton therapy. Results: VTS system could track couch motion accurately and measured position in room-coordinates. The VTS measurements and Laser tracker data agreed within 1% of difference for linear and rotational motions. Also because the program analyzes motion in 3-Dimension, it can compute couch sagging. Conclusion: Developed QA system provides submillimeter/ degree accuracy which fulfills the high-end couch QA. This work was supported by the National Research Foundation of Korea funded by Ministry of Science, ICT & Future Planning. (2013M2A2A7043507 and 2012M3A9B6055201)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Side-by-Side Testing of Water Heating Systems: Results from the 2013–2014 Evaluation

The Florida Solar Energy Center (FSEC) completed a fourth year-long evaluation on residential hot water heating systems in a laboratory environment (east central Florida, hot-humid climate). The evaluation studied the performance of five hot water systems (HWS) plus a reference baseline system for each fuel, (i.e., electric and natural gas). Electric HWS consisted of two residential electric heat pump water heaters (HPWHs, 60 and 80 gallons), a solar thermal system using a polymer absorber (glazed) collector with 80-gallon storage and a duplicate 50-gallon standard electric water heater with added cap and wrap insulation. Baseline performance data were collected from a standard 50-gallon electric water heater of minimum code efficiency to compare energy savings. Similarly, a standard 40-gallon upright vented natural gas water heater served as baseline for the natural gas fuel category. The latter, having a larger jacket diameter [18 in., with an energy factor (EF) of 0.62] with increased insulation, replaced a former baseline (17 in. diameter, EF = 0.59) that served during three previous testing rotations (2009–2013). A high-efficiency, condensing natural gas hybrid water heater with 27-gallon buffered tank was also tested and compared against the gas baseline. All systems underwent testing simultaneously side-by-side under the criteria specified elsewhere in this report.

14 SOLAR ENERGY↗
DOE OSTI2017

Side-by-Side Testing of Water Heating Systems: Results from the 2013–2014 Evaluation

The Florida Solar Energy Center (FSEC) completed a fourth year-long evaluation on residential hot water heating systems in a laboratory environment (east central Florida, hot-humid climate). The evaluation studied the performance of five hot water systems (HWS) plus a reference baseline system for each fuel, (i.e., electric and natural gas). Electric HWS consisted of two residential electric heat pump water heaters (HPWHs, 60 and 80 gallons), a solar thermal system using a polymer absorber (glazed) collector with 80-gallon storage and a duplicate 50-gallon standard electric water heater with added cap and wrap insulation. Baseline performance data were collected from a standard 50-gallon electric water heater of minimum code efficiency to compare energy savings. Similarly, a standard 40-gallon upright vented natural gas water heater served as baseline for the natural gas fuel category. The latter, having a larger jacket diameter [18 in., with an energy factor (EF) of 0.62] with increased insulation, replaced a former baseline (17 in. diameter, EF = 0.59) that served during three previous testing rotations (2009–2013). A high-efficiency, condensing natural gas hybrid water heater with 27-gallon buffered tank was also tested and compared against the gas baseline. All systems underwent testing simultaneously side-by-side under the criteria specified elsewhere in this report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

PID-Regulated Heating System for PIP-II Reference Line

The Proton Improvement Project-2 centers on building a new superconducting linear particle accelerator (Linac) at Fermilab. At the heart of the accelerator is the reference line, a critical system that defines the ideal path for the particle beam as it passes through magnets, RF cavities, and other beamline elements. Temperature stability is crucial for the reliable operation of RF components, such as mixers and filters. Fluctuations affect key performance parameters like conversion loss, isolation, and linearity. To mitigate any drift caused by ambient temperature changes, a heating plate assembly is utilized to maintain key components at a controlled temperature of 40°C. The system utilizes an aluminum 36”x36”x0.5” heat plate powered by a MOSFET-based control circuit, delivering approximately 460 W of thermal energy through a resistor array. Real-time temperature feedback is provided by a PT100 Resistance Temperature Detector (RTD), which interfaces with a Proportional–Integral–Derivative (PID) control algorithm to maintain closed-loop temperature regulation. The control signal actively modulates the gate voltage of an N channel MOSFET, dynamically adjusting power delivery in response to deviations from the temperature setpoint. Simulations and LTspice models validate the functionality and responsiveness of the circuit under varying conditions. The prototype has successfully demonstrated stable thermal control, paving the way for integration into the PIP-II infrastructure. The final design will feature an expanded resistor array, as well as communication with a PLC for continuous data acquisition and diagnostics. This work directly supports Fermilab’s broader mission by contributing to the stability and reliability of core accelerator systems, enhancing the precision of particle beam delivery for future physics experiments.

Mosher, Alexander [Fermilab]↗
DOE OSTI2024

MS4 - Municipal Separate Storm Sewer System

Stormwater refers to the rainwater or melted snow that flows over land surfaces - including streets, rooftops, and parking lots - that does not infiltrate into the ground. It is collected by storm drains and conveyed through a network of pipes and channels, eventually discharging into streams, rivers, lakes, or oceans. The storm sewer systems on NREL's South Table Mountain (STM) campus, distinct from the sanitary sewer systems, is known as a Municipal Separate Storm Sewer System (MS4).The Environmental Protection Agency (EPA) issued NREL an MS4 Permit for the STM campus to regulate stormwater operations within the boundaries of the STM campus. The STM campus is the only NREL campus to have an MS4 Permit.

ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Master Oscillator and Phase Reference Line Design for the PIP-II Linac

The phase averaging reference line system provides the RF phase reference, LO and clock signals to the LLRF and other accelerator sub-systems. The PIP-II linac has RF systems at three frequencies - 162.5 MHz, 325 MHz and 650 MHz. A temperature-stabilized, low-phase-noise oscillator is used as the master oscillator. Phase reference signals at 162.5 MHz, 325 MHz, and 650 MHz, along with LO signals at 182.5 MHz, 345 MHz, 670 MHz and LLRF clocks at 1320 MHz and 1300 MHz, are generated in temperature-controlled RF modules at each frequency section. A phase reference from each module travels to the next section, where it is doubled to produce required frequencies. The reference also travels alongside the accelerating cavities in the tunnel, allowing cavity probe and reference cables to temperature track and reduce measurement errors from temperature changes or phase drift.

Syed, A. [Fermilab]↗
DOE OSTI2016

Thermodynamic meaning of local temperature of nonequilibrium open quantum systems

Measuring the local temperature of nanoscale systems out of equilibrium has emerged as a new tool to study local heating effects and other local thermal properties of systems driven by external fields. Although various experimental protocols and theoretical definitions have been proposed to determine the local temperature, the thermodynamic meaning of the measured or defined quantities remains unclear. By performing analytical and numerical analysis of bias-driven quantum dot systems both in the noninteracting and strongly-correlated regimes, we elucidate the underlying physical meaning of local temperature as determined by two definitions: the zero-current condition that is widely used but not measurable and the minimal-perturbation condition that is experimentally realizable. We show that, unlike the zero-current condition, the local temperature determined by the minimal-perturbation protocol establishes a quantitative correspondence between the nonequilibrium system of interest and a reference equilibrium system, provided the probed system observable and the related electronic excitations are fully local. The quantitative correspondence thus allows the well-established thermodynamic concept to be extended to nonequilibrium situations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

B827 Chemical Synthhesis Project - Industrial Control System Integration - Statement of Work & Specification with Attachments 1-14

The Chemical Synthesis Pilot Process at the Lawrence Livermore National Laboratory (LLNL) Site 300 827 Complex will be used to synthesize small quantities of material to support research and development. The project will modernize and increase current capabilities for chemical synthesis at LLNL. The primary objective of this project is the conversion of a non-automated hands-on process to a remoteoperation process, while providing enhanced batch process step control, stored recipe-specific parameter sets, process variable visibility, monitoring, alarm and warning handling, and comprehensive batch record data logging. This Statement of Work and Specification provides the industrial-grade process control requirements for the chemical synthesis batching control system, hereafter referred to as the “Control System” to be delivered by the System Integrator.

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

PERFORMANCE EVALUATION OF CEILING RADIANT COOLING SYSTEM IN COMPOSITE CLIMATE

Radiant cooling systems are proving to be an energy efficient solution due to higher thermal capacity of cooling fluid especially for the buildings that require individual zone controls and where the latent loads are moderate. The Conventional air conditioners work at very low temperature i.e.5-8 c (refrigerant evaporator inlet) while the radiant cooling systems, also referred as high temperature cooling system, work at high temperatures i.e. 14-18 c. The radiant cooling systems can maintain lower MRT (Mean Radiant Temperature) as ceiling panels maintain uniform temperature gradient inside room and provide higher human comfort. The radiant cooling systems are relatively new systems and their operation and energy savings potential are not quantified for a large number of buildings and operational parameters. Moreover, there are only limited numbers of whole building simulation studies have been carried out for these systems to have a full confidence in the capability of modelling tools to simulate these systems and predict the impact of various operating parameters. Theoretically, savings achieve due to higher temperature set point of chilled water, which reduces chiller-running time. However, conventional air conditioner runs continuously to maintain requisite temperature. In this paper, experimental study for performance evaluation of radiant cooling system carried out on system installed at Malaviya National Institute of Technology Jaipur. This paper quantifies the energy savings opportunities and effective temperature by radiant cooling system at different chilled water flow rates and temperature range. The data collected/ analysed through experimental study will used for calibration and validation of system model of building prepared in building performance simulation software. This validated model used for exploring optimized combinations of key parameters for composite climate. These optimized combinations will used in formulation of radiant cooling system operations control strategy.

Ceiling Panels↗
DOE OSTI2025

Fermilab PIP-II Master Oscillator and Precision Reference Line Design and Construction

The phase averaging reference line system pro- vides the RF phase reference, LO and clock sig- nals to the LLRF and other accelerator sub- systems. The PIP-II linac has RF systems at three frequencies – 162.5 MHz, 325 MHz and 650 MHz. A temperature-stabilized, low-phase- noise oscillator is used as the master oscil- lator. Phase reference signals at 162.5 MHz, 325 MHz, and 650 MHz, along with LO signals at 182.5 MHz, 345 MHz, 670 MHz and LLRF clocks at 1320 MHz and 1300 MHz, are generated in temperature-controlled RF modules at each fre- quency section. A phase reference from each module travels to the next section, where it is doubled to produce required frequencies. The reference also travels alongside the accelerating cavities in the tunnel, allowing cavity probe and reference cables to temperature track and reduce measurement errors from temperature changes or phase drift.

Syed, Ahmed [Fermilab]↗
DOE OSTI2017

Methodology for assessing the safety of Hydrogen Systems: HyRAM 1.1 technical reference manual

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM is envisioned as a unifying platform combining validated, analytical models of hydrogen behavior, a stan- dardized, transparent QRA approach, and engineering models and generic data for hydrogen installations. HyRAM is being developed at Sandia National Laboratories for the U. S. De- partment of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. This document provides a description of the methodology and models contained in the HyRAM version 1.1. HyRAM 1.1 includes generic probabilities for hydrogen equipment fail- ures, probabilistic models for the impact of heat flux on humans and structures, and computa- tionally and experimentally validated analytical and first order models of hydrogen release and flame physics. HyRAM 1.1 integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is a prototype software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals.

97 MATHEMATICS AND COMPUTING↗