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All sources NASA NTRS DOE OSTI

DOE OSTI2014

Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracy and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Quantum primordial standard clocks

In this paper, we point out and study a generic type of signals existing in the primordial universe models, which can be used to model-independently distinguish the inflation scenario from alternatives. These signals are generated by massive fields that function as standard clocks. The role of massive fields as standard clocks has been realized in previous works. Although the existence of such massive fields is generic, the previous realizations require sharp features to classically excite the oscillations of the massive clock fields. Here, we point out that the quantum fluctuations of massive fields can actually serve the same purpose as the standard clocks. We show that they are also able to directly record the defining property of the scenario type, namely, the scale factor of the primordial universe as a function of time a(t), but through shape-dependent oscillatory features in non-Gaussianities. Since quantum fluctuating massive fields exist in any realistic primordial universe models, these quantum primordial standard clock signals are present in any inflation models, and should exist quite generally in alternative-to-inflation scenarios as well. However, the amplitude of such signals is very model-dependent.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Probing scalar non-standard interaction of supernova neutrinos in next-generation neutrino experiments

A new neutrino-matter interaction can potentially affect neutrino propagation through matter. In this work, we explore the impact of a flavor-conserving scalar-mediated non-standard neutrino interaction in the supernova neutrino flux. We observe that the presence of a scalar interaction involving muon and tau neutrinos (parameterized as η μμ and η ττ , respectively) can invert the neutrino mass eigenstate in which three neutrino flavor states are produced inside the supernova core, resulting in a significant modification of the electron neutrino flux from the supernova reaching the Earth. In the context of the DUNE experiment, we estimate the number of supernova neutrino events in the presence of scalar non-standard neutrino interaction η μμ or η ττ and contrast with the case without scalar-mediated non-standard interactions. Our results indicate that such scalar interactions introduce a new degeneracy in the measurement of neutrino mass ordering from supernova neutrinos. We show how the ν̅e event distribution in Hyper-Kamiokande experiment may help resolve the degeneracy between a model with new scalar interactions for normal ordered neutrino masses and the standard model with inverted mass ordering for a galactic supernova.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Ontology Development Kit: a toolkit for building, maintaining and standardizing biomedical ontologies

Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking and dependency management. To manage these processes, a diverse set of tools is required, from command-line utilities to powerful ontology-engineering environmentsr. Particularly in the biomedical domain, which has developed a set of highly diverse yet inter-dependent ontologies, standardizing release practices and metadata and establishing shared quality standards are crucial to enable interoperability. The Ontology Development Kit (ODK) provides a set of standardized, customizable and automatically executable workflows, and packages all required tooling in a single Docker image. In this paper, we provide an overview of how the ODK works, show how it is used in practice and describe how we envision it driving standardization efforts in our community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2015

BiGG Models: A platform for integrating, standardizing and sharing genome-scale models

In this study, genome-scale metabolic models are mathematically structured knowledge bases that can be used to predict metabolic pathway usage and growth phenotypes. Furthermore, they can generate and test hypotheses when integrated with experimental data. To maximize the value of these models, centralized repositories of high-quality models must be established, models must adhere to established standards and model components must be linked to relevant databases. Tools for model visualization further enhance their utility. To meet these needs, we present BiGG Models (http://bigg.ucsd.edu), a completely redesigned Biochemical, Genetic and Genomic knowledge base. BiGG Models contains more than 75 high-quality, manually-curated genome-scale metabolic models. On the website, users can browse, search and visualize models. BiGG Models connects genome-scale models to genome annotations and external databases. Reaction and metabolite identifiers have been standardized across models to conform to community standards and enable rapid comparison across models. Furthermore, BiGG Models provides a comprehensive application programming interface for accessing BiGG Models with modeling and analysis tools. As a resource for highly curated, standardized and accessible models of metabolism, BiGG Models will facilitate diverse systems biology studies and support knowledge-based analysis of diverse experimental data.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Community-Driven Metadata Standards for Agricultural Microbiome Research

Accelerating the pace of microbiome science to enhance crop productivity and agroecosystem health will require transdisciplinary studies, comparisons among datasets, and synthetic analyses of research from diverse crop management contexts. However, despite the widespread availability of crop-associated microbiome data, variation in field sampling and laboratory processing methodologies, as well as metadata collection and reporting, significantly constrains the potential for integrative and comparative analyses. Here we discuss the need for agriculture-specific metadata standards for microbiome research, and propose a list of “required” and “desirable” metadata categories and ontologies essential to be included in a future minimum information metadata standards checklist for describing agricultural microbiome studies. We begin by briefly reviewing existing metadata standards relevant to agricultural microbiome research, and describe ongoing efforts to enhance the potential for integration of data across research studies. Our goal is not to delineate a fixed list of metadata requirements. Instead, we hope to advance the field by providing a starting point for discussion, and inspire researchers to adopt standardized procedures for collecting and reporting consistent and well-annotated metadata for agricultural microbiome research.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Technical Assessment of Internal Surface Smoothness and Particle Transmission to the American National Standard ANSI/HPS N13.1-2011

Clause 6.4.4 in the American National Standards Institute / Health Physics Society (ANSI/HPS) N13.1 standard, Sampling and Monitoring Releases of Airborne Radioactive Substances From the Stacks and Ducts of Nuclear Facilities, addresses the internal smoothness of sample transport lines present between the nozzle and the analyzer (or collector). This paper evaluates the appropriateness of this clause by comparing roughness length of various materials against the required relative roughness, and by conducting computational fluid dynamic modeling. The results indicate that the inclusion of numerical criteria for the relative roughness of pipe by the ANSI Standard N13.1 (Section 6.4.4) is not appropriate. Recommended alternatives would be elimination of the numerical criteria, or modification of the standard to include a variable criteria for relative roughness.

operational topics, aerosols, air sampling, atmosp↗

DOE OSTI2023

Improving the PMU Standard

The Phasor Measurement Unit (PMU) is perhaps the first representational measurement widely dispersed in the electric power system. Its usefulness has been demonstrated on many occasions. It is shown in this paper that the excellent performance of the PMU is a tribute to PMU makers, and not attributable to the standards that are supposed to specify the performance. The IEEE and IEC standards illustrate, by means of a “reference model,” how a PMU can be made. Both standards base the model on two fundamental conceptual errors. Without these errors several improvements in performance could be made. The standards should be revised to remove the restrictive “guidance” that the reference model presently offers, and to correct the text so that the appropriate concepts are presented.

Phasor Measurement, reference model↗

DOE OSTI2024

Optimization-Based Model Reduction Scheme for Renewable Energy Power Plants Using Standardized Testing Scenarios

This paper presents an optimization-based model reduction scheme for renewable energy (RE) power plants consisting of inverter-based resources (IBRs) operating in grid-following (GFL) or grid-forming (GFM) modes. More importantly, the datasets feeding the optimization-based model reduction scheme are generated and re-used through the standardized grid-interactive testing scenarios. Particularly, the proposed scheme makes use of the power plant point of common coupling (PCC) measurements of various quantities specified by standardized tests (e.g., voltage and frequency ride through) as per IEEE 2800, to estimate the parameters of the reduced-order model such that its dynamic performance aligns with the original detailed power plant model. The proposed model reduction approach does not require the parameters of individual IBRs and using standardized test data as input to the formulated optimization problem simplifies the reduced-order modelling scheme. Extensive case studies following standardized test scenarios verified the remarkable accuracy of the proposed approach.

Yallamilli, Ram S. [Purdue University]↗

DOE OSTI2022

Real-Time Hardware-in-the-Loop Distributed Energy Resources System Testbed using IEEE 2030.5 Standard

IEEE 2030.5 standard is drawing special attention among communication protocols for smart inverters and distributed energy resources (DER). Moreover, California Rule 21 mandates new DER must be ready to communicate to a host utility using the IEEE 2030.5 standard. Therefore, development of an effective real-time simulation method for managing DER using IEEE 2030.5 network is crucial. This paper presents a real-time hardware-in-the-loop (HIL) DER system testbed using the IEEE 2030.5 standard. The proposed real-time co-simulation testbed consists of a DER physical system simulation using OP AL-RT real-time simulator and a cyber system simulation including DER gateways and a DER management system (DERMS) cloud server. Custom-built client and server programs are developed to meet the compliant with IEEE 2030.5-2018 standard and implemented in the DER gateways and a DERMS server, respectively. Furthermore, the feasibility of the proposed testbed for DER systems is validated by experiments.

42 ENGINEERING↗

DOE OSTI2018

The Effect of 1–10-MeV Neutrons on the JESD89 Test Standard

Here, the JESD89 test standard defines how terrestrial neutron testing is conducted [1] . The test standard covers a number of different types of radiation used for testing, including protons, neutrons, and alphas, and different types of testing, including life testing and accelerated testing. Broad-spectrum neutron testing is the most common type of accelerated radiation testing for the terrestrial radiation environment. Unlike most test standards, the JESD89 defines the minimum energy for determining the cumulative fluence for the deployed and test environment. Currently, the minimum energy is set at 10 MeV. As the test standard is currently being rewritten, changing the minimum energy to 1 MeV is being explored, because it is believed that the onset to neutron-induced single-event effects (SEEs) is less than 10 MeV. There are three separate problems with lowering the minimum energy: determining whether electronics have a sensitivity to neutron-induced SEEs below 10 MeV, determining whether the test spectra match the terrestrial environment in the 1–10-MeV range, and the measurement error caused by not including the fluence from 1 to 10 MeV. In this paper, we present information on these factors and whether the minimum energy should be lowered to 1 MeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Binary pseudo-random array standards for calibration of 3D optical surface profilers used for metrology with aspheric x-ray optics

High-accuracy surface metrology is vitally important in manufacturing ultra-high-quality free-form mirrors designed to manipulate x-ray light with nanometer-scale wavelengths. The current and potential capabilities of x˗ray mirror manufacturing are limited by inherent imperfections of the integrated metrology tools. Metrology tools are currently calibrated with super-polished flat test-standard/reference mirrors. This is acceptable for fabrication of slightly curved x-ray optics. However, for even moderately curved aspherical x-ray mirrors the flat-reference calibration is not sufficiently accurate. For micro-stitching interferometry developed for surface measurements with curved x-ray mirrors, the tool aberration errors are known to be transferred into the optical surface topography of x-ray mirrors. Our approach to improving metrology is to thoroughly calibrate the measuring tool and apply the results of the calibration to deconvolution of the measured data. Here we explore the application of a recently developed technique for calibrating the instrument transfer function (ITF) of 3D optical surface profilers to metrology with significantly curved x-ray optics. The technique, based on test standards patterned with two-dimensional (2D) binary pseudo-random arrays (BPRAs), employs the unique properties of the BPRA patterns in the spatial frequency domain. The inherent 2D power spectral density of the pattern has a deterministic white-noise-like character that allows direct determination of the ITF with uniform sensitivity over the entire spatial frequency range and field of view of an instrument. The high efficacy of the technique has been previously demonstrated in application to metrology with flat and slightly curved optics. Here, we concentrate on development of an efficient fabrication process for production of highly randomized (HR) BPRA test standards on flat and 500-mm spherical optical substrates. We also compare and discuss the results of the ITF calibration of an interferometric microscope when using the HR BPRA standards on flat and curved substrates.

Munechika, Keiko↗

DOE OSTI2015

A prototype, glassless densitometer traceable to primary optical standards for quantitative radiochromic film dosimetry

Purpose: To evaluate a prototype densitometer traceable to primary optical standards and compare its performance to an EPSON Expression{sup ®} 10000XL flatbed scanner (the Epson) for quantitative radiochromic film (RCF) dosimetry. Methods: A prototype traceable laser densitometry system (LDS) was developed to mitigate common film scanning artifacts, such as positional scan dependence and high noise in low-dose regions, by performing point-based measurements of RCF suspended in free-space using coherent light. The LDS and the Epson optical absorbance scales were calibrated up to 3 AU, using reference materials calibrated at a primary standards laboratory and a scanner calibration factor (SCF). Calibrated optical density (OD) was determined for 96 Gafchromic{sup ®} EBT3 film segments before and after irradiation to one of 16 dose levels between 0 and 10 Gy, exposed to {sup 60}Co in a polymethyl-methacrylate (PMMA) phantom. The sensitivity was determined at each dose level and at two rotationally orthogonal readout orientations to obtain the sensitometric response of each RCF dosimetry system. LDS rotational scanning dependence was measured at nine angles between 0°and 180°, due to the expected interference between coherent light and polarizing EBT3 material. The response curves were fit to the analytic functions predicted by two physical response models: the two-parameter single-hit model and the four-parameter percolation model. Results: The LDS and the Epson absorbance measurements were linear to primary optical standards to within 0.2% and 0.3% up to 2 and 1 AU, respectively. At higher densities, the LDS had an over-response (2.5% at 3 AU) and the Epson an under-response (3.1% and 9.8% at 2 and 3 AU, respectively). The LDS and the Epson SCF over the applicable range were 0.968% ± 0.2% and 1.561% ± 0.3%, respectively. The positional scan dependence was evaluated on each digitizer and shown to be mitigated on the LDS, as compared to the Epson. Maximum EBT3 rotational dependence was found to have a strong dependence on dose (0.1% and 34% at 30 mGy and 5 Gy, respectively). The preferred EBT3 polymerization axis angle was constant within experimental uncertainties. In its most sensitive orientation, the LDS-measured EBT3 sensitivity was 7.13 × 10{sup −4} ± 9.2 × 10{sup −6} AU/mGy, which represented a 4.5 fold increase over the Epson of 1.58 × 10{sup −4} ± 9.8 × 10{sup −6} AU/mGy. To first order approximations, EBT3 response was linear up to 500 mGy to within 0.80% and to within 7.5% for the most sensitive LDS and the Epson orientations, respectively. The corresponding single-hit and percolation model relative residual norms were 0.082 and 0.074 for LDS as compared to 0.29 and 0.18 for the Epson, which represented a significant increase in LDS-measured agreement with the simple physical model. Less sensitive LDS and the Epson orientations showed a marked decrease in the physical model agreement, which suggested that suboptimal readout device characteristics may be the origin of the complex sensitometric functional forms currently required for accurate RCF dosimetry. Conclusions: The prototype densitometer was shown to be superior to a conventional scanner for quantitative RCF dosimetry based on physical models of film response. The Epson was shown to be a reliable tool for routine RCF dosimetry in a clinical setting, yet calibration to primary optical standards did not mitigate the necessity for complex, empirical functional form fitting.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-B-213-02: Development of CAMPEP Standards

The North American medical physics community validates the education received by medical physicists and the clinical qualifications for medical physicists through accreditation of educational programs and certification of medical physicists. Medical physics educational programs (graduate education and residency education) are accredited by the Commission on Accreditation of Medical Physics Education Programs (CAMPEP), whereas medical physicists are certified by several organizations, the most familiar of which is the American Board of Radiology (ABR). In order for an educational program to become accredited or a medical physicist to become certified, the applicant must meet certain specified standards set by the appropriate organization. In this Symposium, representatives from both CAMPEP and the ABR will describe the process by which standards are established as well as the process by which qualifications of candidates for accreditation or certification are shown to be compliant with these standards. The Symposium will conclude with a panel discussion. Learning Objectives: Recognize the difference between accreditation of an educational program and certification of an individual Identify the two organizations primarily responsible for these tasks Describe the development of educational standards Describe the process by which examination questions are developed GS is Executive Secretary of CAMPEP.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2015

SU-B-213-05: Development of ABR Certification Standards

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2015

MO-F-CAMPUS-T-04: Implementation of a Standardized Monthly Quality Check for Linac Output Management in a Large Multi-Site Clinic

Purpose: This work is to investigate the feasibility of a standardized monthly quality check (QC) of LINAC output determination in a multi-site, multi-LINAC institution. The QC was developed to determine individual LINAC output using the same optimized measurement setup and a constant calibration factor for all machines across the institution. Methods: The QA data over 4 years of 7 Varian machines over four sites, were analyzed. The monthly output constancy checks were performed using a fixed source-to-chamber-distance (SCD), with no couch position adjustment throughout the measurement cycle for all the photon energies: 6 and 18MV, and electron energies: 6, 9, 12, 16 and 20 MeV. The constant monthly output calibration factor (Nconst) was determined by averaging the machines’ output data, acquired with the same monthly ion chamber. If a different monthly ion chamber was used, Nconst was then re-normalized to consider its different NDW,Co-60. Here, the possible changes of Nconst over 4 years have been tracked, and the precision of output results based on this standardized monthly QA program relative to the TG-51 calibration for each machine was calculated. Any outlier of the group was investigated. Results: The possible changes of Nconst varied between 0–0.9% over 4 years. The normalization of absorbed-dose-to-water calibration factors corrects for up to 3.3% variations of different monthly QA chambers. The LINAC output precision based on this standardized monthly QC relative to the TG-51 output calibration is within 1% for 6MV photon energy and 2% for 18MV and all the electron energies. A human error in one TG-51 report was found through a close scrutiny of outlier data. Conclusion: This standardized QC allows for a reasonably simplified, precise and robust monthly LINAC output constancy check, with the increased sensitivity needed to detect possible human errors and machine problems.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Search for standard model production of four top quarks with same-sign and multilepton final states in proton–proton collisions at $\sqrt{s} = 13\,\text {TeV} $

A search for standard model production of four top quarks ( $\mathrm {t}\overline{\mathrm {t}} \mathrm {t}\overline{\mathrm {t}} $ ) is reported using events containing at least three leptons ( $\mathrm {e}, \mathrm {\mu }$ ) or a same-sign lepton pair. The events are produced in proton–proton collisions at a center-of-mass energy of 13 $\,\text {TeV}$ at the LHC, and the data sample, recorded in 2016, corresponds to an integrated luminosity of 35.9 $\,\text {fb}^{-1}$ . Jet multiplicity and flavor are used to enhance signal sensitivity, and dedicated control regions are used to constrain the dominant backgrounds. The observed and expected signal significances are, respectively, 1.6 and 1.0 standard deviations, and the $\mathrm {t}\overline{\mathrm {t}} \mathrm {t}\overline{\mathrm {t}} $ cross section is measured to be $16.9^{+13.8-11.4}$ $\,\text {fb}$ , in agreement with next-to-leading-order standard model predictions. These results are also used to constrain the Yukawa coupling between the top quark and the Higgs boson to be less than 2.1 times its expected standard model value at 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Conduct of Operations and Nuclear Criticality Safety Standards

Since the beginning of the nuclear age in 1943, there have been 22 criticality accidents in process facilities worldwide in which fissionable materials were processed by hand for various purposes. Of these 22 process criticality accidents, 16 involved faulty or flawed conduct of operations. Most of these process accidents (17 of 22) occurred before 1970, mostly due to the implementation of formal conduct of operations—such as the use of operating procedures and training—and the use of consensus standards for nuclear criticality safety (NCS). Obviously, the nuclear facilities applied lessons learned from their accident history, and the rate of criticality accidents was significantly reduced as a result. Over the years, it has been emphasized in NCS training courses and other venues in the United States that the consensus standards, such as ASA N6.1-1964, were the key contributors to this reduction in accidents. The formality of operations required to implement and apply the standards at a facility is also a crucial prerequisite that must be sufficiently robust to ensure NCS. This prerequisite is crucial to success fully implement the NCS consensus and other safety standards at a site.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗