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DOE OSTI2020

Nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain and Stereochemistry: What Does Any of This Have to do with an International Chemical Disarmament and Non-Proliferation Treaty?

The Chemical Weapons Convention (CWC) is an international disarmament and non-proliferation treaty that mandates a comprehensive ban on chemical weapons. This treaty entered-into-force in 1997 and has a nearly universal membership of world states. The CWC provides definitions for what constitutes a chemical weapon and describes chemicals for which verification measures and regulatory oversight are required. These chemicals, which must be declared to the Organisation for the Prohibition of Chemical Weapons (OPCW) for verification purposes, appear in three Schedules within the CWC. The schedules list specific chemical substances and families of chemicals defined by molecular structure descriptions that allow a range of specified variable groups. The text of an international treaty provides a basis for laws and regulatory requirements at international and national levels that must be enacted to comply with treaty obligations. These laws and regulations must account for the “chemistry” that is described in the treaty text, which has been negotiated and agreed upon by world governments. In this paper, we look at some of the chemicals described within the CWC and discuss how atoms and molecules, nomenclature and Chemical Abstracts Service (CAS) numbers, isomer enumeration, ring strain and stereochemistry influence the obligations of States to an international treaty. The material draws upon the authors’ experiences from an interactive “Science for Diplomats” initiative that has provided a forum for engaging with chemical disarmament decision makers to aid in their understanding of fundamental concepts in chemistry that have impact on treaty implementation. We hope this article will spark interest from chemistry students and educators in the provision of science advice for policymakers and provide policymakers with an appreciation of the complexity and importance of understanding the language of chemistry in support of a world free of chemical weapons.

Organic Chemistry, Alkanes/Cycloalkanes, Applicati↗

DOE OSTI2023

Projecting Future Energy Production from Operating Wind Farms in North America. Part II: Statistical Downscaling

Abstract Capacity factors (CFs) derived from daily expected power at 22 operating wind farms in different regions of North America are used as predictands to train statistical downscaling algorithms using output from ERA5. The statistical downscaling models are then used to make CF projections for a suite of CMIP6 Earth System Models (ESMs). Downscaling is performed using a hybrid statistical approach that employs synoptic types derived using k -means clustering applied to sea level pressure fields with variance corrections applied as a function of the pressure gradient intensity. ESMs exhibit marked variability in terms of the skill with which the frequency of synoptic types and pressure gradients are reproduced relative to ERA5, and that differential skill is used to infer differential credibility in the associated CF projections. Projections of median annual mean CF [P50(CF)] in each 20-yr period from 1980 to 2099 show evidence of declines at most wind farms except in parts of the southern Great Plains, although the magnitude of the changes is strongly dependent on the ESM. For example, P50(CF) in 2080–99 deviate from those in 1980–99 by from −3.1 to +0.2 percentage points in the Northeast. The largest-magnitude declines in P50(CF) ranging from −3.9 to −2 percentage points are projected for the southern West Coast. CF trends exhibit marked seasonality and are strongly linked to changes in the relative intensity of future synoptic patterns, with much less impact from shifts in the occurrence of synoptic types over time. Internal climate modes continue to play a significant role in inducing interannual variability in wind power production, even under high radiative forcing scenarios. Significance Statement We describe how future climate changes may affect wind resources and wind power generation. Near-term changes in projected wind power electricity generation potential at operating wind farms over North America are small, but by the end of the current century electricity production is projected to decrease in many areas but may increase in parts of the southern Great Plains. The amount of change in projected wind power production is a strong function of the Earth system model that is downscaled and also depends on the continued presence of internally forced climate variability. An additional dependence on the amount of greenhouse gas–induced global warming indicates the transition of the energy sector to low-carbon sources may assist in maintaining the abundant U.S. wind resource.

Meteorology & Atmospheric Sciences↗

DOE OSTI2024

Integrating Variable Renewable Energy Into the Grid: Key Issues

To foster sustainable, low-emission development, many countries are establishing ambitious renewable energy targets for their electricity supply. The variability of solar and wind compared to traditional sources, coupled with growing demand for electricity, requires changes to power system planning and operations to meet these targets. Grid integration is the practice of developing efficient ways to deliver variable renewable energy (VRE), primarily wind and solar, to the grid. Good integration methods maximize the cost-effectiveness of incorporating VRE while maintaining or increasing system stability and reliability. To inform decarbonization strategies, policymakers, regulators, and system operators consider a variety of costs and opportunities associated with VRE integration, which can be organized into five topics: New renewable energy generation and transmission; Power system reliability; Transmission and distribution coordination; Cross-sectoral decarbonization opportunities; Energy equity and justice.

ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Clinicopathologic and Transcriptomic Analysis of Radiation-Induced Lung Injury in Nonhuman Primates

Radiation-induced lung injury (RILI) is a progressive condition with an early phase (radiation pneumonitis) and a late phase (lung fibrosis). RILI may occur after partial-body ionizing radiation exposures or internal radioisotope exposure, with wide individual variability in timing and extent of lung injury. This study aimed to provide new insights into the pathogenesis and progression of RILI in the nonhuman primate (NHP) rhesus macaque model.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2020

Climate change impacts on wind power generation

Wind energy is a virtually carbon-free and pollution-free electricity source, with global wind resources greatly exceeding electricity demand. Accordingly, the installed capacity of wind turbines grew at an annualized rate of >20% from 2000 to 2019 and is projected to increase by a further 50% by the end of 2023. Here, in this Review, we describe the factors that dictate the wind resource magnitude and variability and illustrate the tools and techniques that are being used to make projections of wind resources and wind turbine operating conditions. Natural variability due to the action of internal climate modes appears to dominate over global-warming-induced non-stationarity over most areas with large wind energy installations or potential. However, there is evidence for increased wind energy resources by the end of the current century in northern Europe and the US Southern Great Plains. New technology trends are changing the sensitivity of wind energy to global climate non-stationarity and, thus, present new challenges and opportunities for innovative research. The evolution of climate modelling to increasingly address mesoscale processes is providing improved projections of both wind resources and wind turbine operating conditions, and will contribute to continued reductions in the levelized cost of energy from wind power generation.

17 WIND ENERGY↗

DOE OSTI2021

How do intermittency and simultaneous processes obfuscate the Arctic influence on midlatitude winter extreme weather events?

Abstract Pronounced changes in the Arctic environment add a new potential driver of anomalous weather patterns in midlatitudes that affect billions of people. Recent studies of these Arctic/midlatitude weather linkages, however, state inconsistent conclusions. A source of uncertainty arises from the chaotic nature of the atmosphere. Thermodynamic forcing by a rapidly warming Arctic contributes to weather events through changing surface heat fluxes and large-scale temperature and pressure gradients. But internal shifts in atmospheric dynamics—the variability of the location, strength, and character of the jet stream, blocking, and stratospheric polar vortex (SPV)—obscure the direct causes and effects. It is important to understand these associated processes to differentiate Arctic-forced variability from natural variability. For example in early winter, reduced Barents/Kara Seas sea-ice coverage may reinforce existing atmospheric teleconnections between the North Atlantic/Arctic and central Asia, and affect downstream weather in East Asia. Reduced sea ice in the Chukchi Sea can amplify atmospheric ridging of high pressure near Alaska, influencing downstream weather across North America. In late winter southward displacement of the SPV, coupled to the troposphere, leads to weather extremes in Eurasia and North America. Combined tropical and sea ice conditions can modulate the variability of the SPV. Observational evidence for Arctic/midlatitude weather linkages continues to accumulate, along with understanding of connections with pre-existing climate states. Relative to natural atmospheric variability, sea-ice loss alone has played a secondary role in Arctic/midlatitude weather linkages; the full influence of Arctic amplification remains uncertain.

Environmental Sciences & Ecology↗

NASA NTRS1976

Two systems analyses of SETI

The problem of receiving and identifying a single microwave signal transmitted by extraterrestrial intelligent beings is analyzed in the cases where the signal is designed to catch our attention and the signal is designed for internal purposes of another civilization. Six variables which yield uncertainty as to the exact signal which should be searched for are described: polarization, modulation, flux level, direction, frequency (including bandwidth and drift rate), and time. It is shown that if all reasonable variations of these parameters are to be examined sequentially for 1000 seconds, the search would take over a million times longer than the age of the Universe. Ways to simplify the search are considered, including widening the frequency bin, selecting specific targets, cutting the observation time, using a Fourier transform device for data processing, and building larger antennas as well as better low-noise receivers.

Machol, R. E.↗

NASA NTRS1982

The evolution of the moon - A finite element approach

The present lunar evolution model analyzes the thermal history of a self-gravitating spherical planetary body, including the effects of viscous dissipation, internal melting, adiabatic gradient, core formation, variable viscosity, radioactive nucleide decay, and a depth-dependent initial temperature profile, together with physical parameters corresponding to the moon. Although no initial basalt ocean is assumed, partial melting is observed early in the model moon's history. This is suggested to be related to the formation of the basalt maria. The model's present lithospheric thickness is 600 km, with core-mantle temperatures close to 1600 K and surface heat flux of 25.3 mW/sq m. The finite element method is judged to be applicable to the problem of planetary evolution, although faster solution algorithms will be required for the examination of a sufficient number of models.

Chacko, S.↗

NASA NTRS1984

Two-beam interferometer for optical constants measurements at near-millimeter wavelengths

A simple and versatile instrument for the measurement of optical constants in the near millimeter spectral region is described. Studies of quasi-optical components used in this instrument for effective beam transmission and control are reported. These studies include transmission characteristics of dielectric waveguides and performance of a variable coupler based on frustrated total internal reflection. Operation of this instrument as a two-beam interferometer for determining the index of refraction or as a device to measure transmission for determining the absorption coefficient are described. Values measured with this instrument at 245 GHz, using an optically pumped molecular laser as the source, are reported for several low-loss materials. Appropriate corrections and error estimates are discussed. The potential for improvement and increased accuracies are discussed.

Jones, C. R.↗

NASA NTRS1986

Compact Hybrid Automotive Propulsion System

Power train proposed for experimental vehicle powered by internal combustion engine and electric motor. Intended for front-wheel drive automobile, power train mass produced using existing technology. System includes internal-combustion engine, electric motor, continuously variable transmission, torque converter, differential, and control and adjustment systems for electric motor and transmission. Continuously variable transmission integrated into hydraulic system that also handles power steering and power brakes. Batteries for electric motor mounted elsewhere in vehicle.

Lupo, G.↗

NASA NTRS1987

Parametric study of single expansion ramp nozzles at subsonic/transonic speeds

The Langley Research Center has conducted a parametric investigation to determine the aeropropulsive characteristics of single expansion ramp nozzles (SERN). The SERN is a nonaxisymmetric, variable-area, internal/external expansion exhaust nozzle. Internal nozzle parameters that were varied included upper ramp length, ramp chordal angle, lower flap length, flap angle and the axial and vertical locations of nozzle throat. Convergent-divergent and convergent nozzles were included in this investigation which was conducted in the Langley 16-Foot Transonic Tunnel at Mach numbers from 0.6 to 1.2 and at nozzle pressure ratios up to 12.0.

Capone, F. J.↗

NASA NTRS1990

Integrated force method versus displacement method for finite element analysis

A novel formulation termed the integrated force method (IFM) has been developed in recent years for analyzing structures. In this method all the internal forces are taken as independent variables, and the system equilibrium equations (EE's) are integrated with the global compatibility conditions (CC's) to form the governing set of equations. In IFM the CC's are obtained from the strain formulation of St. Venant, and no choices of redundant load systems have to be made, in constrast to the standard force method (SFM). This property of IFM allows the generation of the governing equation to be automated straightforwardly, as it is in the popular stiffness method (SM). In this report IFM and SM are compared relative to the structure of their respective equations, their conditioning, required solution methods, overall computational requirements, and convergence properties as these factors influence the accuracy of the results. Overall, this new version of the force method produces more accurate results than the stiffness method for comparable computational cost.

Patnaik, Surya N.↗

NASA NTRS1991

Integrated force method versus displacement method for finite element analysis

A novel formulation termed the integrated force method (IFM) has been developed in recent years for analyzing structures. In this method all the internal forces are taken as independent variables, and the system equilibrium equations (EEs) are integrated with the global compatibility conditions (CCs) to form the governing set of equations. In IFM the CCs are obtained from the strain formulation of St. Venant, and no choices of redundant load systems have to be made, in constrast to the standard force method (SFM). This property of IFM allows the generation of the governing equation to be automated straightforwardly, as it is in the popular stiffness method (SM). In this report IFM and SM are compared relative to the structure of their respective equations, their conditioning, required solution methods, overall computational requirements, and convergence properties as these factors influence the accuracy of the results. Overall, this new version of the force method produces more accurate results than the stiffness method for comparable computational cost.

Patnaik, S. N.↗

NASA NTRS2001

Spacecraft Thermal Control

Thermal control of the spacecraft is typically achieved by removing heat from the spacecraft parts that tend to overheat and adding heat to the parts that tend get too cold. The equipment on the spacecraft can get very hot if it is exposed to the sun or have internal heat generation. The pans also can get very cold if they are exposed to the cold of deep space. The spacecraft and instruments must be designed to achieve proper thermal balance. The combination of the spacecraft's external thermal environment, its internal heat generation (i.e., waste heat from the operation of electrical equipment), and radiative heat rejection will determine this thermal balance. It should also be noted that this is seldom a static situation, external environmental influences and internal heat generation are normally dynamic variables which change with time. Topics discussed include thermal control system components, spacecraft mission categories, spacecraft thermal requirements, space thermal environments, thermal control hardware, launch and flight operations, advanced technologies for future spacecraft,

Birur, Gajanana C.↗

NASA NTRS2008

A New, Highly Improved Two-Cycle Engine

The figure presents a cross-sectional view of a supercharged, variable-compression, two-cycle, internal-combustion engine that offers significant advantages over prior such engines. The improvements are embodied in a combination of design changes that contribute synergistically to improvements in performance and economy. Although the combination of design changes and the principles underlying them are complex, one of the main effects of the changes on the overall engine design is reduced (relative to prior two-cycle designs) mechanical complexity, which translates directly to reduced manufacturing cost and increased reliability. Other benefits include increases in the efficiency of both scavenging and supercharging. The improvements retain the simplicity and other advantages of two-cycle engines while affording increases in volumetric efficiency and performance across a wide range of operating conditions that, heretofore have been accessible to four-cycle engines but not to conventionally scavenged two-cycle ones, thereby increasing the range of usefulness of the two-cycle engine into all areas now dominated by the four-cycle engine. The design changes and benefits are too numerous to describe here in detail, but it is possible to summarize the major improvements: Reciprocating Shuttle Inlet Valve The entire reciprocating shuttle inlet valve and its operating gear is constructed as a single member. The shuttle valve is actuated in a lost-motion arrangement in which, at the ends of its stroke, projections on the shuttle valve come to rest against abutments at the ends of grooves in a piston skirt. This shuttle-valve design obviates the customary complex valve mechanism, actuated from an engine crankshaft or camshaft, yet it is effective with every type of two-cycle engine, from small high-speed single cylinder model engines, to large low-speed multiple cylinder engines.

Wiesen, Bernard↗

NASA NTRS2014

Landsat-8 Thermal Infrared Sensor (TIRS) Vicarious Radiometric Calibration

Launched in February 2013, the Landsat-8 carries on-board the Thermal Infrared Sensor (TIRS), a two-band thermal pushbroom imager, to maintain the thermal imaging capability of the Landsat program. The TIRS bands are centered at roughly 10.9 and 12 micrometers (Bands 10 and 11 respectively). They have 100 m spatial resolution and image coincidently with the Operational Land Imager (OLI), also on-board Landsat-8. The TIRS instrument has an internal calibration system consisting of a variable temperature blackbody and a special viewport with which it can see deep space; a two point calibration can be performed twice an orbit. Immediately after launch, a rigorous vicarious calibration program was started to validate the absolute calibration of the system. The two vicarious calibration teams, NASA/Jet Propulsion Laboratory (JPL) and the Rochester Institute of Technology (RIT), both make use of buoys deployed on large water bodies as the primary monitoring technique. RIT took advantage of cross-calibration opportunity soon after launch when Landsat-8 and Landsat-7 were imaging the same targets within a few minutes of each other to perform a validation of the absolute calibration. Terra MODIS is also being used for regular monitoring of the TIRS absolute calibration. The buoy initial results showed a large error in both bands, 0.29 and 0.51 W/sq m·sr·micrometers or -2.1 K and -4.4 K at 300 K in Band 10 and 11 respectively, where TIRS data was too hot. A calibration update was recommended for both bands to correct for a bias error and was implemented on 3 February 2014 in the USGS/EROS processing system, but the residual variability is still larger than desired for both bands (0.12 and 0.2 W/sq m·sr·micrometers or 0.87 and 1.67 K at 300 K). Additional work has uncovered the source of the calibration error: out-of-field stray light. While analysis continues to characterize the stray light contribution, the vicarious calibration work proceeds. The additional data have not changed the statistical assessment but indicate that the correction (particularly in band 11) is probably only valid for a subset of data. While the stray light effect is small enough in Band 10 to make the data useful across a wide array of applications, the effect in Band 11 is larger and the vicarious results suggest that Band 11 data should not be used where absolute calibration is required.

TIIRS↗

NASA NTRS1982

Experiments on high bypass internal mixer nozzle jet noise

Model scale jet noise data are presented for a variety of internal lobed mixer nozzle configurations for take off power settings in a static environment. The results are presented for a 17.5 cm diameter fan nozzle to show the effect on noise levels caused by changes in geometric shape of the internal, or core flow, nozzle. The geometric variables include the lobe discharge angle, the number of lobes, spacing between the center plug and lobe valley, lobe side wall shape and axial contour of the lobes. An annular plug core flow nozzle was also tested and is used as a baseline for comparative purposes. Comparison of data from the internal lobed configurations showed that for comparative effect, in terms of the effect on full scale perceived noise levels, was caused by a change in the lobe discharge angle. The results showed that increasing the discharge angle caused an increase as large as 7 dB in sound pressure levels in the high frequency portion of the spectra. Changes in the other geometric variables cause negligible effects.

Goodykoontz, J. H.↗

NASA NTRS1994

Kinetics of phase transformation in glass forming systems

The objectives of this research were to (1) develop computer models for realistic simulations of nucleation and crystal growth in glasses, which would also have the flexibility to accomodate the different variables related to sample characteristics and experimental conditions, and (2) design and perform nucleation and crystallization experiments using calorimetric measurements, such as differential scanning calorimetry (DSC) and differential thermal analysis (DTA) to verify these models. The variables related to sample characteristics mentioned in (1) above include size of the glass particles, nucleating agents, and the relative concentration of the surface and internal nuclei. A change in any of these variables changes the mode of the transformation (crystallization) kinetics. A variation in experimental conditions includes isothermal and nonisothermal DSC/DTA measurements. This research would lead to develop improved, more realistic methods for analysis of the DSC/DTA peak profiles to determine the kinetic parameters for nucleation and crystal growth as well as to assess the relative merits and demerits of the thermoanalytical models presently used to study the phase transformation in glasses.

Ray, Chandra S.↗