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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Improved Fermion Hamiltonians for Quantum Simulation

The Symanzik improvement program has been quite successful in classical simulations of quantum chromodynamics allowing calculations to be performed at coarser lattice spacings and with reduced computational resource costs. It is expected that improved Hamiltonians will be essential to simulate lattice field theories using quantum computers. In this work I will discuss the formulation of an ASQTAD and HISQ Hamiltonian amenable for quantum simulations. I will also show preliminary results that demonstrate significant tree-level contributions are removed in the spectrum of the 1 flavor Schwinger model.

quantum computing↗

Relativistic Three-Dimensional Lippmann-Schwinger Cross Sections for Space Radiation Applications

Radiation transport codes require accurate nuclear cross sections to compute particle fluences inside shielding materials. The Tripathi semi-empirical reaction cross section, which includes over 60 parameters tuned to nucleon-nucleus (NA) and nucleus-nucleus (AA) data, has been used in many of the world’s best-known transport codes. Although this parameterization fits well to reaction cross section data, the predictive capability of any parameterization is questionable when it is used beyond the range of the data to which it was tuned. Using uncertainty analysis, it is shown that a relativistic Three- Dimensional Lippmann-Schwinger (LS3D) equation model based on Multiple Scatter- ing Theory (MST) that uses 5 parameterizations—3 fundamental parameterizations to nucleon-nucleon (NN) data and 2 nuclear charge density parameterizations—predicts NA and AA reaction cross sections as well as the Tripathi cross section parameterization for reactions in which the kinetic energy of the projectile in the laboratory frame (TLab) is greater than 220 MeV/n. The relativistic LS3D model has the additional advantage of being able to predict highly accurate total and elastic cross sections. Consequently, it is recommended that the relativistic LS3D model be used for space radiation applications in which TLab > 220 MeV/n.

C M Werneth↗

Phase of the quantum harmonic oscillator with applications to optical polarization

The phase of the quantum harmonic oscillator, the temporal distribution of a particle in a square-well potential, and a quantum theory of angles are derived from a general theory of complementarity. Schwinger's harmonic oscillator model of angular momenta is modified for the case of photons. Angular distributions for systems of identical and distinguishable particles are discussed. Unitary and antiunitary time reversal operators are then presented and applied to optical polarization states in birefringent media.

Shepard, Scott R.↗

Mobility of Electron in DNA Crystals by Laser Radiation

The mobility of electrons in laser radiated DNA is closed to the energy transfer and energy migration of a biological molecule. Arrhenius has studied the conductivity of the electrons in a biological molecule. But his result is far from the experimental result and meanwhile the relation between some parameters in his theory and the micro-quantities in DNA is not very clear. In this paper, we propose a new phonon model of electron mobility in DNA and use Lippman-Schwinger equation and S-matrix theory to study the mobility of electrons in DNA crystal. The result is relatively close to the experiment result and some parameters in Arrhenius theory are explained in our work.

Zhang, Kaixi↗

Studies of electron-molecule collisions - Applications to e-H2O

Elastic differential and momentum transfer cross sections for the elastic scattering of electrons by H2O are reported for collision energies from 2 to 20 eV. These fixed-nuclei static-exchange cross sections were obtained using the Schwinger variational approach. In these studies the exchange potential is directly evaluated and not approximated by local models. The calculated differential cross sections, obtained with a basis set expansion of the scattering wave function, agree well with available experimental data at intermediate and larger angles. As used here, the results cannot adequately describe the divergent cross sections at small angles. An interesting feature of the calculated cross sections, particularly at 15 and 20 eV, is their significant backward peaking. This peaking occurs in the experimentally inaccessible region beyond a scattering angle of 120 deg. The implication of this feature for the determination of momentum transfer cross sections is described.

Brescansin, L. M.↗

Kaon-nucleus scattering

The derivations of the Lippmann-Schwinger equation and Watson multiple scattering are given. A simple optical potential is found to be the first term of that series. The number density distribution models of the nucleus, harmonic well, and Woods-Saxon are used without t-matrix taken from the scattering experiments. The parameterized two-body inputs, which are kaon-nucleon total cross sections, elastic slope parameters, and the ratio of the real to the imaginary part of the forward elastic scattering amplitude, are presented. The eikonal approximation was chosen as our solution method to estimate the total and absorptive cross sections for the kaon-nucleus scattering.

Hong, Byungsik↗

Electromagnetic scattering theory

Electromagnetic scattering theory is discussed with emphasis on the general stochastic variational principle (SVP) and its applications. The stochastic version of the Schwinger-type variational principle is presented, and explicit expressions for its integrals are considered. Results are summarized for scalar wave scattering from a classic rough-surface model and for vector wave scattering from a random dielectric-body model. Also considered are the selection of trial functions and the variational improvement of the Kirchhoff short-wave approximation appropriate to large size-parameters. Other applications of vector field theory discussed include a general vision theory and the analysis of hydromagnetism induced by ocean motion across the geomagnetic field. Levitational force-torque in the magnetic suspension of the disturbance compensation system (DISCOS), now deployed in NOVA satellites, is also analyzed using the developed theory.

Bird, J. F.↗

Aera-Mip: Emission Pathways, Remaining Budgets, and Carbon Cycle Dynamics Compatible With 1.5 and 2 °C Global Warming Stabilization

While international climate policies now focus on limiting global warming to well below 2 °C or pursuing a 1.5 °C level of global warming, the climate modelling community has not provided an experimental design in which all Earth system models (ESMs) converge and stabilize at the same prescribed global warming levels. This gap hampers accurate estimations based on comprehensive ESMs of the carbon emission pathways and budgets needed to meet such agreed warming levels and of the associated climate impacts under temperature stabilization. Here, we apply the Adaptive Emission Reduction Approach (AERA) with ESMs to provide such simulations in which all models converge at 1.5 and 2.0 °C warming levels by adjusting their emissions over time. These emission-driven simulations provide a wide range of emission pathways and resulting atmospheric CO 2 projections for a given warming level, uncovering uncertainty ranges that were previously missing in the traditional Coupled Model Intercomparison Project (CMIP) scenarios with prescribed greenhouse gas concentration pathways. Meeting the 1.5 °C warming level requires a 40 % (full model range: 7 % to 76 %) reduction in multi-model mean CO 2 -forcing-equivalent (CO 2 -fe) emissions from 2025 to 2030, a 98 % (57 % to 127 %) reduction from 2025 to 2050, and a stabilization at 1.0 (−1.7 to 2.9) PgC yr−1 from 2100 onward after the 1.5 °C global warming level is reached. Meeting the 2.0 °C warming level requires a 47 % (8 % to 92 %) reduction in multi-model mean CO 2 -fe emissions until 2050 and a stabilization at 1.7 (−1.5 to 2.7) PgC yr−1 from 2100 onward. The on-average positive emissions under stabilized global temperatures are the result of a decreasing transient climate response to cumulative CO 2 -fe emissions over time under stabilized global warming. This evolution is consistent with a slightly negative zero emissions commitment – initially assumed to be zero – and leads to an increase in the post-2025 CO 2 -fe emission budget by a factor of 2.2 (−0.8 to 6.9) by 2150 for the 1.5 °C warming level and a factor of 1.4 (0.9 to 2.4) for the 2.0 °C warming level compared to its first estimate in 2025. The median CO 2 -only carbon budget by 2150, relative to 2020, is 800 GtCO 2 for the 1.5 °C warming level and 2250 GtCO 2 for the 2.0 °C warming level. These median values exceed the median IPCC AR6 estimates by 60 % for the 1.5 °C warming level and 67 % for 2.0 °C. Some of the differences may be explained by the choice of the mitigation scenario for non-CO 2 radiative agents. Our simulations highlight shifts in carbon uptake dynamics under stabilized temperature, such as a cessation of the carbon sinks in the North Atlantic and in tropical forests. On the other hand, the Southern Ocean remains a carbon sink centuries after temperatures stabilize. Overall, this new type of warming-level-based emission-driven simulation offers a more coherent assessment across climate models and opens up a wide range of possibilities for studying both the carbon cycle and climate impacts, such as extreme events, under climate stabilization.

Adaptive Emission Reduction Approach↗

Tracking Improvement in Simulated Marine Biogeochemistry Between CMIP5 and CMIP6

Purpose of Review The changes or updates in ocean biogeochemistry component have been mapped between CMIP5 and CMIP6 model versions, and an assessment made of how far these have led to improvements in the simulated mean state of marine biogeochemical models within the current generation of Earth system models (ESMs). Recent Findings The representation of marine biogeochemistry has progressed within the current generation of Earth system models. However, it remains difficult to identify which model updates are responsible for a given improvement. In addition, the full potential of marine biogeochemistry in terms of Earth system interactions and climate feedback remains poorly examined in the current generation of Earth system models. Summary Increasing availability of ocean biogeochemical data, as well as an improved understanding of the underlying processes, allows advances in the marine biogeochemical components of the current generation of ESMs. The present study scrutinizes the extent to which marine biogeochemistry components of ESMs have progressed between the 5th and the 6th phases of the Coupled Model Intercomparison Project (CMIP).

Marine Biogeochemistry↗

Microscopic optical model calculations of 4He, 12C-nucleus absorption cross sections

Calculations of absorption cross sections using a microscopic first-order optical potential for heavy-ion scattering are compared with experiments. In-medium nucleon-nucleon (NN) cross sections were used to calculate the two-body scattering amplitude. A medium-modified first-order optical potential was obtained for heavy-ion scattering using the in-medium two-body scattering amplitude. A partial wave expansion of the Lippmann-Schwinger equation in momentum space was used to calculate the absorption cross sections for various systems. The results are presented for the absorption cross sections for 4He-nucleus and 12C-nucleus scattering systems and are compared with the experimental values in the energy range 18-83A MeV. The use of the in-medium NN cross sections is found to result in significant reduction of the free space absorption cross sections in agreement with experiment.

NASA Discipline Radiation Health↗

Studies of electron-polyatomic-molecule collisions Applications to e-CH4

The first application of the Schwinger multichannel formulation to low-energy electron collisions with a nonlinear polyatomic target is reported. Integral and differential cross sections are obtained for e-CH4 collisions from 3 to 20 eV at the static-plus-exchange interaction level. In these studies, the exchange potential is directly evaluated and not approximated by local models. An interesting feature of the small-angle differential cross section is ascribed to polarization effects and not reproduced at the static-plus-exchange level. These differential cross sections are found to be in reasonable agreement with existing measurements at 7.5 eV and higher energies.

Lima, M. A. P.↗

Application of the Schwinger multichannel formulation to electron-impact excitation of the b 3Sigma(+) state of CO

The Chi 1Sigma - b 3Sigma(+) transition of CO is described using the Schwinger multichannel method in the two-state approximation, in an energy range from threshold to 20 eV. The resonance structure is analyzed by performing a partial-wave decomposition and the resonance positions are established based on the typical discontinuous behavior in the K-matrix elements as well as the pi radian change in the partial-wave eigenphases. The resonance behavior is related to the concept of core-excited resonances and the 'grandparent' model of resonances. The results are related to the formation of the negative ion by carrying out bound-state calculations on the (5 sigma)(3 s sigma)-squared core-excited Rydberg state of CO(-), and the position is found to agree well with the low-energy resonance positions.

Weatherford, Charles A.↗

Time-dependent treatment of scattering - Integral equation approaches using the time-dependent amplitude density

The time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.

Hoffman, David K.↗

Global Carbon Budget 2019

Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere – the “global carbon budget” – is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and methodology to quantify the five major components of the global carbon budget and their uncertainties. Fossil CO2 emissions (E(FF)) are based on energy statistics and cement production data, while emissions from land use change (E(LUC)), mainly deforestation, are based on land use and land use change data and bookkeeping models. Atmospheric CO2 concentration is measured directly and its growth rate (G(ATM)) is computed from the annual changes in concentration. The ocean CO2 sink (S(OCEAN)) and terrestrial CO2 sink (S(LAND)) are estimated with global process models constrained by observations. The resulting carbon budget imbalance (B(IM)), the difference between the estimated total emissions and the estimated changes in the atmosphere, ocean, and terrestrial biosphere, is a measure of imperfect data and understanding of the contemporary carbon cycle. All uncertainties are reported as ±1σ. For the last decade available (2009–2018), E(FF) was 9.5±0.5 GtC/yr, E(LUC) 1.5±0.7 GtC/yr, G(ATM) 4.9±0.02 GtC/yr (2.3±0.01 ppm/yr), S(OCEAN) 2.5±0.6 GtC/yr, and S(LAND) 3.2±0.6 GtC/yr, with a budget imbalance B(IM) of 0.4 GtC/yr indicating overestimated emissions and/or underestimated sinks. For the year 2018 alone, the growth in E(FF) was about 2.1 % and fossil emissions increased to 10.0±0.5 GtC/yr, reaching 10 GtC/yr for the first time in history, E(LUC) was 1.5±0.7 GtC/yr, for total anthropogenic CO2 emissions of 11.5±0.9 GtC/yr (42.5±3.3 GtCO2). Also for 2018, G(ATM) was 5.1±0.2 GtC/yr (2.4±0.1 ppm/yr), S(OCEAN) was 2.6±0.6 GtC/yr, and S(LAND) was 3.5±0.7 GtC/yr, with a B(IM) of 0.3 GtC. The global atmospheric CO2 concentration reached 407.38±0.1 ppm averaged over 2018. For 2019, preliminary data for the first 6–10 months indicate a reduced growth in E(FF) of +0.6 % (range of −0.2 % to 1.5 %) based on national emissions projections for China, the USA, the EU, and India and projections of gross domestic product corrected for recent changes in the carbon intensity of the economy for the rest of the world. Overall, the mean and trend in the five components of the global carbon budget are consistently estimated over the period 1959–2018, but discrepancies of up to 1 GtC/yr persist for the representation of semi-decadal variability in CO2 fluxes. A detailed comparison among individual estimates and the introduction of a broad range of observations shows (1) no consensus in the mean and trend in land use change emissions over the last decade, (2) a persistent low agreement between the different methods on the magnitude of the land CO2 flux in the northern extra-tropics, and (3) an apparent underestimation of the CO2 variability by ocean models outside the tropics. This living data update documents changes in the methods and data sets used in this new global carbon budget and the progress in understanding of the global carbon cycle compared with previous publications of this data set (Le Quéré et al., 2018a, b, 2016, 2015a, b, 2014, 2013).

global carbon budget 2019↗

Global Carbon Budget 2016

Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere the global carbon budget is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates and consistency within and among components, alongside methodology and data limitations. CO2 emissions from fossil fuels and industry (EFF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (ELUC), mainly deforestation, are based on combined evidence from land-cover change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (GATM) is computed from the annual changes in concentration. The mean ocean CO2 sink (SOCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in SOCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (SLAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models. We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as +/- 1(sigma), reflecting the current capacity to characterize the annual estimates of each component of the global carbon budget. For the last decade available (2006-2015), EFF was 9.3+/-0.5 GtC/yr, ELUC 1.0+/-0.5 GtC/yr,GATM 4.5+/-0.1 GtC/yr, SOCEAN 2.6+/-0.5 GtC/yr, and SLAND 3.1+/-0.9 GtC/yr. For year 2015 alone, the growth in EFF was approximately zero and emissions remained at 9.9+/-0.5 GtC/yr, showing a slowdown in growth of these emissions compared to the average growth of 1.8/yr that took place during 2006-2015.Also, for 2015, ELUC was 1.3+/-0.5 GtC/yr, GATM was 6.3+/-0.2 GtC/yr, SOCEAN was 3.0+/-0.5 GtC/yr, and SLAND was 1.9+/-0.9 GtC/yr. GATM was higher in 2015 compared to the past decade (2006-2015), reflecting a smaller SLAND for that year. The global atmospheric CO2 concentration reached 399.4+/-0.1 ppm averaged over 2015. For 2016, preliminary data indicate the continuation of low growth in EFF with +0.2% (range of -1.0 to +1.8% ) based on national emissions projections for China and USA, and projections of gross domestic product corrected for recent changes in the carbon intensity of the economy for the rest of the world. In spite of the low growth of EFF in 2016, the growth rate in atmospheric CO2 concentration is expected to be relatively high because of the persistence of the smaller residual terrestrial sink (SLAND) in response to El Nino conditions of 2015-2016. From this projection of EFF and assumed constant ELUC for 2016, cumulative emissions of CO2 will reach 565+/-55 GtC (2075+/-205 GtCO2) for 1870-2016, about 75% from EFF and 25% from ELUC. This living data update documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this data set.

Quéré, Corinne Le↗