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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sea Ice and Cloud Processes Mediating Compensation between Atmospheric and Oceanic Meridional Heat Transports across the CMIP6 Preindustrial Control Experiment

Abstract Bjerknes compensation (BJC) refers to the anticorrelation observed between atmospheric and oceanic heat transport (AHT/OHT) variability, particularly on decadal to longer time scales that may be important to the predictability of the climate system. This study investigates the spread in BJC across fully coupled simulations of phase 6 of the Coupled Model Intercomparison Project (CMIP6) and critical processes (particularly related to sea ice and clouds) that may contribute to that spread. BJC on decadal to longer time scales is confirmed across all the simulations evaluated, and it is strongest in the Northern Hemisphere (NH) between 60° and 70°N. At these latitudes, BJC appears to be primarily driven by the exchange of turbulent fluxes (sensible and latent) in the Greenland, Iceland, and Barents Seas. Metrics to break down how sea ice and clouds uniquely modify the radiative balance of the polar atmosphere during anomalous OHT events are presented. These metrics quantify the impacts of sea ice and clouds on surface and top of atmosphere (latent, sensible, longwave, and shortwave radiative) energy fluxes. Cloud responses tend to counter the clear sky impacts over the Marginal Ice Zone (MIZ). It is further shown that the degree of BJC present in a simulation at high latitudes is heavily influenced by the sensitivity of the sea ice to OHT, which is most influential over the MIZ. These results are qualitatively robust across models and explain the intermodel spread in NH BJC in the preindustrial control experiment.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 2: User's guide

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 2 is the User's Guide, and describes the program's general features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Towne, Charles E.↗
NASA NTRS1990

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 3: Programmer's reference

A new computer code was developed to solve the 2-D or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating-direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 3 is the Programmer's Reference, and describes the program structure, the FORTRAN variables stored in common blocks, and the details of each subprogram.

Towne, Charles E.↗
NASA NTRS2011

Response of the Antarctic Stratosphere to Warm Pool EI Nino Events in the GEOS CCM

A new type of EI Nino event has been identified in the last decade. During "warm pool" EI Nino (WPEN) events, sea surface temperatures (SSTs) in the central equatorial Pacific are warmer than average. The EI Nino signal propagates poleward and upward as large-scale atmospheric waves, causing unusual weather patterns and warming the polar stratosphere. In austral summer, observations show that the Antarctic lower stratosphere is several degrees (K) warmer during WPEN events than during the neutral phase of EI Nino/Southern Oscillation (ENSO). Furthermore, the stratospheric response to WPEN events depends of the direction of tropical stratospheric winds: the Antarctic warming is largest when WPEN events are coincident with westward winds in the tropical lower and middle stratosphere i.e., the westward phase of the quasi-biennial oscillation (QBO). Westward winds are associated with enhanced convection in the subtropics, and with increased poleward wave activity. In this paper, a new formulation of the Goddard Earth Observing System Chemistry-Climate Model, Version 2 (GEOS V2 CCM) is used to substantiate the observed stratospheric response to WPEN events. One simulation is driven by SSTs typical of a WPEN event, while another simulation is driven by ENSO neutral SSTs; both represent a present-day climate. Differences between the two simulations can be directly attributed to the anomalous WPEN SSTs. During WPEN events, relative to ENSO neutral, the model simulates the observed increase in poleward planetary wave activity in the South Pacific during austral spring, as well as the relative warming of the Antarctic lower stratosphere in austral summer. However, the modeled response to WPEN does not depend on the phase of the QBO. The modeled tropical wind oscillation does not extend far enough into the lower stratosphere and upper troposphere, likely explaining the model's insensitivity to the phase of the QBO during WPEN events.

Hurwitz, Margaret M.↗
NASA NTRS2017

The Earth Observing System (EOS)

The Earth Observing System is a US National Aeronautics and Space Administration (NASA) program consisting of a science segment, a data system, and a space segment made up of a series of polar-orbiting and mid-inclination satellites for long-term monitoring of the Earth as an integrated system, including observations of the land surface, biosphere, atmosphere, cryosphere, and oceans. Initially conceived in the mid-late 1980s, it was implemented as a series of large "flagship" missions and smaller focused satellites, often in partnership with instruments and sometimes spacecraft from other nations. In 1984 NASA formed several instrument panels to develop concepts for “facility instruments” that would provide comprehensive support to the scientific and applications’ communities, each with a supporting science team competitively selected via peer-review. An Announcement of Opportunity was released in 1988 and proposals were solicited for three types of proposals: (i) instrument investigations that would include the provision of instrumentation for flight on a polar platform, including non-Earth science payloads requiring polar orbits (PI instruments), (ii) research facility instrument team member and team leader investigations for facility instruments, and (iii) interdisciplinary science investigations to provide data analysis and modeling, preparing to use data acquired from the space platforms. The initial selections made in 1989 included support for 24 instrument investigations, 6 research facility instrument investigations, and 28 interdisciplinary investigations. Although considerable changes were made over the years in the structure and orbital configuration of the various instruments and platforms, a total of 10 different missions were eventually flown, as shown in Fig. 1. These included three multiinstrument flagship platforms known as Terra (launched in 1999), Aqua (launched in 2002), and Aura (launched in 2004), where the Terra mission emphasis was primarily on land processes, Aqua on the hydrological cycle, and Aura on atmospheric chemistry. In addition to these flagship missions the EOS missions included Landsat 7 (land cover classification and change), QuikScat (wind speed and direction over the oceans), Jason-1 (ocean surface topography and sea level), ACRIMSAT (total solar irradiance (TSI)), SAGE III (stratospheric aerosol and ozone levels), ICESat (ice, cloud, and land elevation), and SORCE (Solar Radiation and Climate Experiment; total and spectral solar irradiance). In addition EOS supported CERES (an Earth radiation budget sensor) and LIS (a lightning sensor), that flew as part of the NASA/JAXA Tropical Rainfall Measuring Mission (1997), and SeaWinds (wind speed and direction), that flew as part of the short-lived ADEOS II (Midori II, 2002) mission of JAXA (Japan Aerospace Exploration Agency). The EOS contributions are too numerous to present in detail in this article, but can be viewed for convenience as a means of obtaining global measurements (with appropriate characteristics) of the 24 variables and variable groups listed in Table 1. This table was created by the EOS community in the late 1990s as a way to succinctly indicate which instruments on the various EOS platforms were expected to contribute to each of the specified variables in primary (bold), secondary (bold italics), or contributing (roman) roles. All of the science data products produced by these space missions are available without charge throughout the world, and are thus highly valued for their many contributions to applications such as air quality, fires, land cover change, and the state of the oceans, as well as for science and monitoring of the state of the Earth system and its changes over time. These and other international satellites have played a crucial role in understanding and documenting global change, including (i) global surface temperature and atmospheric temperature and water vapor profiles, (ii) glacial retreat, (iii) sea ice extent and change, (iv) solar radiation into and out of the Earth-atmosphere system, (v) atmospheric aerosol and cloud properties, (vi) sources and sinks of

ICESat↗
NASA NTRS2004

Near Real-time Derived Products from MODIS

As part of the Short-term Prediction Research Transition (SPoRT) program at NASA/MSFC, near real-time total precipitable water and land/sea surface temperature products from MODIS, on NASA's Terra and Aqua satellites, are being derived from a subset of MODIS channels with spectral characteristics similar to those planned for the GOES-R ABI. Under the SPoRT program these products are made available to several NWS Forecast Offices to assist in the preparation of short-term forecasts. This transition activity, from research to operations, serves to prepare forecasters for the next generation of satellite observing capabilities through real-time, hands-on applications to their forecast problems. The derived products are produced from a physical retrieval algorithm which can be applied to polar or geostationary measurements. The algorithm is a perturbation solution of the radiation transfer equation for a nonscattering atmosphere requiring first-guess temperature and moisture profiles. For this application first-guess information is obtained from the latest model forecasts. The utility of this retrieval approach is that it provides a near real-time high resolution update of a model's forecasted parameter allowing forecasters to validate and monitor the performance of the model's forecast. The poster will provide a description of the retrieval methodology and examples of the derived products. Case studies will also be presented comparing these products with those obtained from the Earth Observing System (EOS) MODIS science team algorithms.

Suggs, Ron↗
NASA NTRS2022

Aerosol Detection from the Cloud Aerosol Transport System on the International Space Station: Algorithm Overview and Implications for Diurnal Sampling

Concentrations of particulate aerosols and their vertical placement in the atmosphere determine their interaction with the Earth system and their impact on air quality. Space-based lidar, such as the Cloud–Aerosol Transport System (CATS) technology demonstration instrument, is well-suited for determining the vertical structure of these aerosols and their diurnal cycle. Through the implementation of aerosol-typing algorithms, vertical layers of aerosols are assigned a type, such as marine, dust, and smoke, and a corresponding extinction-to-backscatter (lidar) ratio. With updates to the previous aerosol-typing algorithms, we find that CATS, even as a technology demonstration, observed the documented seasonal cycle of aerosols, comparing favorably with the Cloud–Aerosol Lidar with Orthogonal Polarization (CALIOP) space-based lidar and the NASA Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2) model reanalysis. By leveraging the unique orbit of the International Space Station, we find that CATS can additionally resolve the diurnal cycle of aerosol altitude as observed by ground-based instruments over the Maritime Continent of Southeast Asia.

Edward P Nowottnick↗
DOE OSTI2023

Modeling and Rapid Prototyping of Integrated Transmission-Distribution OPF Formulations with PowerModelsITD.jl

Conventional electric power systems are composed of different unidirectional power flow stages of generation, transmission, and distribution, managed independently by transmission system and distribution system operators. However, as distribution systems increase in complexity due to the integration of distributed energy resources, coordination between transmission and distribution networks will be imperative for the optimal operation of the power grid. However, coupling models and formulations between transmission and distribution is non-trivial, in particular due to the common practice of modeling transmission systems as single-phase, and distribution systems as multi-conductor phase-unbalanced. To enable the rapid prototyping of power flow formulations, in particular in the modeling of the boundary conditions between these two seemingly incompatible data models, we introduce PowerModelsITD.jl, a free, open-source toolkit written in Julia for integrated transmission-distribution (ITD) optimization that leverages mature optimization libraries from the InfrastructureModels.jl-ecosystem. The primary objective of the proposed framework is to provide baseline implementations of steady-state ITD optimization problems, while providing a common platform for the evaluation of emerging formulations and optimization problems. In this work, we introduce the nonlinear formulations currently supported in PowerModelsITD.jl, which include AC-polar, AC-rectangular, current-voltage, and a linear network transportation model. Results are validated using combinations of IEEE transmission and distribution networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

New framework for benchmarking decadal predictions leveraging the PCMDI Metric Package with interactive visualization

Reliable climate predictions across multiple timescales are increasingly critical as climate-related risks continue to rise. With the growing number and diversity of climate prediction systems, systematic intercomparison has become essential. Here, we present a comprehensive evaluation framework based on the PCMDI Metric Package to assess the performance of multiple decadal climate prediction systems. Unlike uninitialized simulations, initialized predictions exhibit bias and predictive skill that evolve with forecast lead time. To address this, we introduce (1) model-by-lead-time portrait plots, which efficiently summarize metrics of global temperature, precipitation, and Arctic/Antarctic sea-ice extent, and (2) an HTML-based interactive visualization platform that provides detailed regional and seasonal diagnostics of model bias, skill scores, and ensemble spread for each model and lead time. Comparisons with uninitialized simulations further quantify the relative impacts of initialization and external forcing on prediction skill. The proposed framework provides a scalable and transparent approach for multi-model climate prediction assessments and can be readily extended to a wide range of operational and research forecasting systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

NASA's Earth Science Flight Program Meets the Challenges of Today and Tomorrow

NASA's Earth science flight program is a dynamic undertaking that consists of a large fleet of operating satellites, an array of satellite and instrument projects in various stages of development, a robust airborne science program, and a massive data archiving and distribution system. Each element of the flight program is complex and present unique challenges. NASA builds upon its successes and learns from its setbacks to manage this evolving portfolio to meet NASA's Earth science objectives. NASA fleet of 16 operating missions provide a wide range of scientific measurements made from dedicated Earth science satellites and from instruments mounted to the International Space Station. For operational missions, the program must address issues such as an aging satellites operating well beyond their prime mission, constellation flying, and collision avoidance with other spacecraft and orbital debris. Projects in development are divided into two broad categories: systematic missions and pathfinders. The Earth Systematic Missions (ESM) include a broad range of multi-disciplinary Earth-observing research satellite missions aimed at understanding the Earth system and its response to natural and human-induced forces and changes. Understanding these forces will help determine how to predict future changes, and how to mitigate or adapt to these changes. The Earth System Science Pathfinder (ESSP) program provides frequent, regular, competitively selected Earth science research opportunities that accommodate new and emerging scientific priorities and measurement capabilities. This results in a series of relatively low-cost, small-sized investigations and missions. Principal investigators whose scientific objectives support a variety of studies lead these missions, including studies of the atmosphere, oceans, land surface, polar ice regions, or solid Earth. This portfolio of missions and investigations provides opportunity for investment in innovative Earth science that enhances NASA's capability for better understanding the current state of the Earth system. ESM and ESSP projects often involve partnerships with other US agencies and/or international organizations. This adds to the complexity of mission development, but allows for a greater scientific return on NASA's investments. The Earth Science Airborne Science Program provides manned and unmanned aircraft systems that further science and advance the use of satellite data. NASA uses these assets worldwide in campaigns to investigate extreme weather events, observe Earth system processes, obtain data for Earth science modeling activities, and calibrate instruments flying aboard Earth science spacecraft. The Airborne Science Program has six dedicated aircraft and access to many other platforms. The Earth Science Multi-Mission Operations program acquires, preserves, and distributes observational data from operating spacecraft to support Earth Science research focus areas. The Earth Observing System Data and Information System (EOSDIS), which has been in operations since 1994, primarily accomplishes this. EOSDIS acquires, processes, archives, and distributes Earth Science data and information products. The archiving of NASA Earth Science information happens at eight Distributed Active Archive Centers (DAACs) and four disciplinary data centers located across the United States. The DAACs specialize by topic area, and make their data available to researchers around the world. The DAACs currently house over 9 petabytes of data, growing at a rate of 6.4 terabytes per day. NASA's current Earth Science portfolio is responsive to the National Research Council (NRC) 2007 Earth Science Decadal Survey and well as the 2010 NASA Response to President Obama's Climate Plan. As the program evolves into the future it will leverage the lessons learned from the current missions in operations and development, and plan for adjustments to future objectives in response to the anticipated 2017 NRC Decadal Survey.

Flight Program↗
DOE OSTI2022

Probing cosmic inflation with the LiteBIRD cosmic microwave background polarization survey

LiteBIRD, the Lite (Light) satellite for the study of B-mode polarization and Inflation from cosmic background Radiation Detection, is a space mission for primordial cosmology and fundamental physics. The Japan Aerospace Exploration Agency (JAXA) selected LiteBIRD in May 2019 as a strategic large-class (L-class) mission, with an expected launch in the late 2020s using JAXA’s H3 rocket. LiteBIRD is planned to orbit the Sun–Earth Lagrangian point L2, where it will map the cosmic microwave background polarization over the entire sky for three years, with three telescopes in 15 frequency bands between 34 and 448 GHz, to achieve an unprecedented total sensitivity of $2.2\, \mu$K-arcmin, with a typical angular resolution of 0.5° at 100 GHz. The primary scientific objective of LiteBIRD is to search for the signal from cosmic inflation, either making a discovery or ruling out well-motivated inflationary models. The measurements of LiteBIRD will also provide us with insight into the quantum nature of gravity and other new physics beyond the standard models of particle physics and cosmology. We provide an overview of the LiteBIRD project, including scientific objectives, mission and system requirements, operation concept, spacecraft and payload module design, expected scientific outcomes, potential design extensions, and synergies with other projects.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

The De-Icing Comparison Experiment (D-ICE): a study of broadband radiometric measurements under icing conditions in the Arctic

Abstract. Surface-based measurements of broadband shortwave (solar) and longwave (infrared) radiative fluxes using thermopile radiometers are made regularly around the globe for scientific and operational environmental monitoring. The occurrence of ice on sensor windows in cold environments – whether snow, rime, or frost – is a common problem that is difficult to prevent as well as difficult to correct in post-processing. The Baseline Surface Radiation Network (BSRN) community recognizes radiometer icing as a major outstanding measurement uncertainty. Towards constraining this uncertainty, the De-Icing Comparison Experiment (D-ICE) was carried out at the NOAA Atmospheric Baseline Observatory in Utqiaġvik (formerly Barrow), Alaska, from August 2017 to July 2018. The purpose of D-ICE was to evaluate existing ventilation and heating technologies developed to mitigate radiometer icing. D-ICE consisted of 20 pyranometers and 5 pyrgeometers operating in various ventilator housings alongside operational systems that are part of NOAA's Barrow BSRN station and the US Department of Energy Atmospheric Radiation Measurement (ARM) program North Slope of Alaska and Oliktok Point observatories. To detect icing, radiometers were monitored continuously using cameras, with a total of more than 1 million images of radiometer domes archived. Ventilator and ventilator–heater performance overall was skillful with the average of the systems mitigating ice formation 77 % (many >90 %) of the time during which icing conditions were present. Ventilators without heating elements were also effective and capable of providing heat through roughly equal contributions of waste energy from the ventilator fan and adiabatic heating downstream of the fan. This provided ∼0.6 ∘C of warming, enough to subsaturate the air up to a relative humidity (with respect to ice) of ∼105 %. Because the mitigation technologies performed well, a near complete record of verified ice-free radiometric fluxes was assembled for the duration of the campaign. This well-characterized data set is suitable for model evaluation, in particular for the Year of Polar Prediction (YOPP) first Special Observing Period (SOP1). We used the data set to calculate short- and long-term biases in iced sensors, finding that biases can be up to +60 W m−2 (longwave) and −211 to +188 W m−2 (shortwave). However, because of the frequency of icing, mitigation of ice by ventilators, cloud conditions, and the timing of icing relative to available sunlight, the biases in the monthly means were generally less than the aggregate uncertainty attributed to other conventional sources in both the shortwave and longwave.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Steady-state solutions for relativistically strong electromagnetic waves in plasmas.

New steady-state solutions are derived which describe electromagnetic waves strong enough to make plasma ions and electrons relativistic. A two-fluid model is used throughout. The following solutions are studied: (1) linearly polarized waves with phase velocity much greater than c; (2) arbitrarily polarized waves with phase velocity near c, in a cold uniform plasma; (3) circularly polarized waves in a uniform plasma characterized by a scalar pressure tensor. All of these waves are capable of propagating in normally overdense plasmas, due to nonlinearities introduced by relativistic effects. The propagation of relativistically strong waves in a density gradient is examined, for the example of a circularly polarized wave strong enough to make electrons but not ions relativistic. It is shown that such a wave propagates at constant energy flux despite the nonlinearity of the system.

Max, C. E.↗
NASA NTRS1995

Flow properties along field lines in a 3-D tilted-dipole geometry

A 3-D MHD simulation of a global, tilted-dipole solar wind flow pattern is analyzed to determine flow properties along individual magnetic field lines. In the model, flow conditions near the Sun are chosen to provide a reasonable match to the interplanetary configuration prevailing during the recent south polar passage by Ulysses, i.e., a streamer belt inclined approximately 30 deg to the solar equator and speeds ranging from 325-800 km/s. Field lines all across the stream pattern are traced from 1 to 10 AU by following the motion of marker particles embedded in the flow. It is found that those field lines threading the core of the interaction region are subject to significant latitudinal and relative longitudinal displacement over this range of heliocentric distance. Thus, observations taken at a fixed latitude in the inner solar system sample, over the course of a solar rotation, field lines which connect to a range of latitudes in the outer heliosphere. Maps of the field line displacements are presented to help visualize these connections. In addition, it is found that depending upon the location relative to the CIR structure, the radial evolution of fluid elements frozen to different field lines can deviate considerably from that of the canonical solar wind. That is, for selected subsets of field lines, large speed changes (not just at shocks) can be experienced; the density variation can be far from 1/r(exp 2), and the magnetic field intensity need not decay monotonically with distance.

Pizzo, V. J.↗
NASA NTRS2004

Global Aerosol Profiling by Orbital Lidar, GLAS Results and Validation

The Geoscience Laser Altimeter System (GLAS) launched in 2003 is the first polar orbiting satellite lidar. The instrument was designed for high performance observations of the distribution and optical scattering cross sections of clouds and aerosol. GLAS is approaching six months of on orbit data operation. These data from thousands of orbits illustrate the ability of space lidar to accurately and dramatically measure the height distribution of global aerosol to an unprecedented degree. There were many intended science applications of the GLAS data and significant results have already been realized, profiling is a fundamentally new measurement from space with multiple applications. A most important aerosol application is providing input to global aerosol generation transport models. Another is improved measurement of aerosol optical depth. A main approach to verify the aerosol optical depth retrieval is comparison to surface measurements by Aeronet. A special feature of the GLAS satellite bus is to rapidly point the lidar instrument at off nadir targets with less than 100 m accuracy. About a dozen selected Aeronet sites were pointed at whenever the GLAS lidar came within 5 degrees of zenith. These plus a more general comparison to nearby sites support the GLAS data product values. In addition the GLAS data can be used to add vertical distribution information to Aeronet aerosol measurements. As an EOS project instrument, GLAS data products are openly available to the science community. First year results from GLAS are summarized.

Spinhirne, J. D.↗
NASA NTRS2016

Recovery of Large Angular Scale CMB Polarization for Instruments Employing Variable-Delay Polarization Modulators

Variable-delay Polarization Modulators (VPMs) are currently being implemented in experiments designed to measure the polarization of the cosmic microwave background on large angular scales because of their capability for providing rapid, front-end polarization modulation and control over systematic errors. Despite the advantages provided by the VPM, it is important to identify and mitigate any time-varying effects that leak into the synchronously modulated component of the signal. In this paper, the effect of emission from a 300 K VPM on the system performance is considered and addressed. Though instrument design can greatly reduce the influence of modulated VPM emission, some residual modulated signal is expected. VPM emission is treated in the presence of rotational misalignments and temperature variation. Simulations of time-ordered data are used to evaluate the effect of these residual errors on the power spectrum. The analysis and modeling in this paper guides experimentalists on the critical aspects of observations using VPMs as front-end modulators. By implementing the characterizations and controls as described, front-end VPM modulation can be very powerful for mitigating 1/ f noise in large angular scale polarimetric surveys. None of the systematic errors studied fundamentally limit the detection and characterization of B-modes on large scales for a tensor-to-scalar ratio of r= 0.01. Indeed, r less than 0.01 is achievable with commensurately improved characterizations and controls.

Miller, N. J.↗
DOE OSTI2020

Modeling Molecules under Pressure with Gaussian Potentials

The computational modeling of molecules under high pressure is a growing research area that augments experimental high-pressure chemistry. Here, a new electronic structure method for modeling atoms and molecules under pressure, Gaussians On Surface Tesserae Simulate HYdrostatic Pressure (GOSTSHYP) approach, is introduced. In this method, a set of Gaussian potentials is distributed evenly on the van der Waals surface of the investigated chemical system, leading to a compression of the electron density and the atomic scaffold. Since no parameters other than pressure need to be specified, GOSTSHYP allows straightforward geometry optimizations and ab initio molecular dynamics simulations of chemical systems under pressure for nonexpert users. In this work, calculated energies, bond lengths, and dipole moments under pressure fall within the range of established computational methods for high-pressure chemistry. A Diels-Alder reaction and the cyclotrimerization of acetylene showcase the ability of GOSTSHYP to model pressure-induced chemical reactions. The connection to mechanochemistry is pointed out.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Mars - The regolith-atmosphere-cap system and climate change

A model is derived for the prediction of the Martian regolith-atmosphere-cap CO2 regime's behavior, as well as for the description of the roly of the regime in climate change, through descriptions of the time-temperature histories of 90 regolith 'chunks' on a latitude-depth grid. The influence of differences in regolith adsorption laws for basalt and clay, and the influence of variations in regolith depth with (1) latitude, (2) regolith thermal diffusivity, and (3) total exchangeable CO2 inventory on predicted variations in atmospheric pressure and cap mass, are examined. It is found that the atmosphere acts as a low capacity conduit between two reservoirs through which 10-100 times the current atmospheric mass of CO2 flows. The exchange between the reservoirs is driven by obliquity variations, with the polar cap the dominant CO2 sink at low obliquity and the regolith dominating at high obliquity.

Fanale, F. P.↗