Recommended strategies for quantifying oxygen vacancies with X-ray photoelectron spectroscopy
Not Available
36 MATERIALS SCIENCE↗
SEARCH · Search NASA
Results for “recommendations”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Data-Driven Recommendation of Optimal Tuning Scheme for Range-Separated Hybrid Functionals in Solution-Phase UV/Vis Absorption Energy Prediction
Time-dependent density functional theory (TDDFT) combined with range-separated hybrid (RSH) functionals and a tuned range-separation parameter γ offers a computationally economical approach for high-throughput excited- state property predictions. The γ-tuning procedure in the gas phase is well established. However, no agreement on the best γ- tuning procedure has been made when considering the solvent effect with implicit solvent models like the polarizable continuum model (PCM). To answer that question, this study created a diverse dataset with 937 molecules with experimental solutionphase UV/vis absorption spectra. Three γ-tuning methods, the gasphase γ-tuning (GPγT), the partial vertical γ-tuning (PVγT), and the strict vertical γ-tuning (SVγT), were evaluated for the ωPBEh functional over the entire dataset. Additional benchmarks are done for the optimally tuned screened range-separated hybrid combined with the PCM approach (SRSH-PCM) and the solvation-mediated tuning procedure (sol-med-OT). Our findings revealed that the optimal γ-values obtained by the PVγT and the SVγT are significantly smaller than the GPγT. This trend holds consistently across all molecules in our dataset, and we explained the origin of this phenomenon. TDDFT calculations with PVγTand SVγT-tuned γ-values and default global Fock exchange fraction achieve superior performance compared to those using GPγTtuned or default γ and slightly outperform SRSH-PCM and sol-med-OT with similar or lesser computational cost. Furthermore, we found that the smaller γ-values from SVγT captured the expected 1/(εR) asymptotic behavior in the solution phase, resulting in accurate prediction of solution-phase CT excitations, consistent with the screened asymptote behavior encoded in SRSH-PCM. These results show that SVγT is the best scheme for high-throughput UV/vis absorption spectrum calculations using the ωPBEh functional from a data-driven perspective.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Recommendations for life-cycle assessment of recyclable plastics in a circular economy
Life-cycle assessment can better capture the impacts of plastics recycling by expanding beyond greenhouse gases to include fossil carbon balances, net diversion of waste from landfill, and avoided release of plastic pollution to the environment.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Development of high-fidelity air handling unit fault models for FDD innovation: lessons learned and recommendations
Not Available
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Recommendations on setup in simulating atmospheric gravity waves under conventionally neutral boundary layer conditions
Wind farm-induced atmospheric gravity waves have been the subject of recent research as they can impact wind farm performance. Pressure variations associated with gravity waves can contribute to the global blockage effect and wind farm wake recovery. Therefore, accurate numerical simulation of flow fields, where wind-farm-induced gravity waves may be produced, is important. Three main considerations in such simulations are the overall domain size, the use of Rayleigh damping near domain boundaries to dampen gravity waves, and advection damping at the inlet to prevent spurious oscillations. Often these considerations are treated ad hoc rather than systematically. This work aims to test and extend the systematic modelling of internal gravity waves proposed in a preliminary investigation to modelling of both internal and trapped gravity waves. The preliminary study identifies the length scales to set the domain and damping layer sizes and the time scale to configure the Rayleigh damping coefficient but under linearly stratified conditions. Large eddy simulations of flow through a wind farm canopy are performed under conventionally neutral boundary layer (CNBL) conditions to test the validity of proposed setups for CNBL conditions. Background atmospheric parameters, such as Froude number (Fr), inversion height (H i ), and inversion layer Froude number (Fr i ) control most of the atmospheric gravity wave characteristics. We validated for CBNL conditions that the effective wavelengths of the internal gravity waves are the correct length scale to configure the domain size and damping layer thickness. Likewise, the optimum damping coefficient to dampen the internal gravity waves relates to the free atmosphere's buoyancy frequency or buoyant perturbations' time scale. We infer that the damping coefficient in the inversion layer may relate to the inversion buoyancy frequency to effectively dampen the trapped gravity waves. Moreover, the advection damping length is linked to the horizontal wavelength of the trapped gravity waves in the inversion layer to prevent spurious waves at the inlet by retaining wave energy accumulation.
17 WIND ENERGY↗
On the Necessity of Adopting Irradiation Protocols Recommended by the Compatibility in Irradiation Research Protocols Expert Roundtable (CIRPER) in Published Research and Why It Matters to Health Physicists
The National Nuclear Security Administration (NNSA) seeks to assist and support all partners in the fields of radiobiology, health physics, radiation physics, and related areas to transition from cesium-137 chloride-based technologies that can potentially be used in an act of terrorism to X-ray technologies. The absence of information on experimental procedures, equipment, and irradiation parameters directly and negatively impacts the reproducibility and translatability of a sizable portion of radiation biology studies. It also discourages researchers from adopting new tools that eliminate the risks of a radiological dispersal device.
Stern, Warren [Brookhaven National Laboratory (BNL↗
Improving neutrino-nuclei interaction models: Recommendations and case studies on Peelle’s Pertinent Puzzle
Improving the modeling of neutrino-nuclei interactions using data-driven methods is crucial for high-precision neutrino oscillation experiments. This paper investigates Peelle’s Pertinent Puzzle (PPP) in the context of neutrino measurements, a longstanding challenge to fitting theoretical models to experimental data. Inconsistencies in data-model comparisons hinder efforts to enhance the accuracy and reliability of model predictions. We analyze various sources contributing to these inconsistencies and propose strategies to address them, supported by practical case studies. We advocate for incorporating model fitting exercises as a standard practice in cross section publications to enhance the robustness of results. We use a common analysis framework to explore PPP-related challenges with MicroBooNE and T2K data in an unified manner. Our findings offer valuable insights for improving the accuracy and reliability of neutrino-nuclei interaction models, particularly by systematically tuning models using data.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Parameter-Efficiently Leveraging Session Information in Deep Learning-Based Session-Aware Sequential Recommendation
Not Available
Seol, Jinseok [Explainable Artificial Intelligence↗
Developing Consensus Recommendations to Address Challenges with Solar and Solar-Plus-Storage Code Enforcement and Permitting Approvals
The Sustainable Energy Action Committee (SEAC) provides a national platform for collaboration between key stakeholders in code enforcement and permitting for solar and solar-plus-storage projects. The outcomes from SEAC include code and standard proposals, guidance documents, information bulletins and stakeholder education. With this work, permitting and inspection of solar and solar+storage systems uses best practices, enhances safety, and becomes more efficient reducing costs for both jurisdictions and installers.
14 SOLAR ENERGY↗
2024 Advanced Scientific Computing Advisory Committee (ASCR): Facilities Subcommittee Recommendations
We were given a charge to assess the necessity for new or upgraded facilities to ensure the Office of Science (SC) remains at the forefront of scientific discovery. This effort included evaluating five specific ASCR facilities for their potential to contribute to this goal and to rate the readiness for construction of each.
99 GENERAL AND MISCELLANEOUS↗
Preliminary Reactor Fueling Support Equipment Recommendation
The National Reactor Innovation Center (NRIC) is a national program that was established as part of the Nuclear Energy Innovation Capabilities Act (NEICA). NRIC’s mission is to accelerate the demonstration and deployment of advanced nuclear energy through its mission to inspire stakeholders and the public, empower innovators, and deliver successful outcomes through efficient coordination of partners and resources. NRIC is designed to bridge the gap between research, development, and the marketplace to help convert some of the nation’s most promising advanced nuclear reactors into commercial applications.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
ChargeX Prescribed Testing Program at CharIN June 2024 Testival: Outcomes & Future Recommendations
In June 2024, the ChargeX Consortium developed an optional prescribed testing program for electric vehicle (EV) and electric vehicle supply equipment (EVSE) manufacturers that attended the CharIN Testival as testers. There were two driving purposes of this program; to introduce a new hybrid approach to testing events with both ad-hoc and prescribed testing offered, and to demonstrate the test cases and structure effectiveness of the EV-EVSE Interoperability Test Plan (EEITP) document developed within the ChargeX Testing Task Force. This program contained eight test scenarios to be performed during the final 30-minutes of a 90-minute testing slot with details like purpose, setup, pass criteria, etc. included within a written test plan document. A $2,000 rebate was offered to those who participated, and a ChargeX moderation force was present to collect EV and EVSE meta data, testing meta data, and testing results.
33 ADVANCED PROPULSION SYSTEMS↗
Integrity Enhancing Protocols: Performance and Recommendations for Nuclear Systems
In today’s communication landscape there are multiple technologies and protocols used for communication between end devices. Within security paradigms for these protocols, integrity management is a common goal of system designers. Communication protocols focused on maintaining message integrity can provide assurance that some received data has not been altered or tampered with. While integrity is often coupled with confidentiality in protocol design, this analysis focuses on an evaluation of only integrity protocols. This report outlines various ways message integrity may be preserved with respect to high performance operational technology (OT) systems. It describes a series of experiments and an evaluation framework used to evaluate the performance of the identified integrity approaches regarding common system design goals. Finally, it addresses the testing environment utilized and closes the report with a summary of experimental results.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Recommendations for Updating Liquid Discharged Inventory and Transport Modeling Parameters for Cumulative Impacts Evaluation of Hexavalent Chromium in the 200 West Area
The purpose of this environmental calculation file (ECF) is to document information regarding hexavalent chromium (Cr(VI)) inventory discharged in 200 West Area at the Hanford Site and provide data to support predictive transport through the vadose zone and saturated zone for modeling efforts. This document provides a focused evaluation of historical waste stream data and studies to develop estimates of Cr(VI) inventory, discharge fractions, and transport parameters for the 200 West Area waste sites and tank farms during discharge events and for long-term contaminant releases.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Standardization and Recommendations for EVSE Cybersecurity Standards
Currently, there is an absence of cybersecurity certification programs specifically for EVSE. Many existing standards focus primarily on safety, such as battery safety, while others provide cybersecu rity guidelines for different types of equipment, which could be adapted for EVSE. Among these, ISA/IEC 62443 has been identified as highly aligned with EVSE security needs. This report is a follow on to the previous research published (“Assessment and Coordination of EVSE Cybersecurity Standards,”). This report aims to find appropriate strategies for closing the gaps found in the aforementioned report and continue to work towards a comprehensive cybersecurity certification program for EVSE. Future testing will leverage this standard to assess EVSE security gaps and strengths, providing valuable insights to support certification development and harmonization of cybersecurity standards.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
RCBC Automatic Monitoring and Control Recommendations
The recompression closed Brayton cycle (RCBC) test rig at the Sandia Brayton Laboratory provides a development platform to accelerate the commercialization of key technologies for supercritical CO 2 (sCO 2 ) closed loop Brayton cycles. The test rig enables testing to gain experience and confidence with new technologies, equipment, and processes, and automating monitors and controls will enhance Sandia’s ability to perform the types and amounts of testing needed. This report identifies candidates for automatic monitoring and control to ensure the loop remains within design limits and minimize risk to equipment due to off-normal events or conditions.
42 ENGINEERING↗
IEEE P2688 Work Group (WG): Draft Recommended Practice for Energy Storage Management Systems (ESMS) in Grid Applications
Poster for DOE ES Peer Review
Schoenwald, David Alan↗
Security by Design Recommendations for Advanced Reactors
Explore the source record for details and available documents.
Cipiti, Benjamin B.↗