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Spurious Behavior of Shock-Capturing Methods: Problems Containing Stiff Source Terms and Discontinuities

The goal of this paper is to relate numerical dissipations that are inherited in high order shock-capturing schemes with the onset of wrong propagation speed of discontinuities. For pointwise evaluation of the source term, previous studies indicated that the phenomenon of wrong propagation speed of discontinuities is connected with the smearing of the discontinuity caused by the discretization of the advection term. The smearing introduces a nonequilibrium state into the calculation. Thus as soon as a nonequilibrium value is introduced in this manner, the source term turns on and immediately restores equilibrium, while at the same time shifting the discontinuity to a cell boundary. The present study is to show that the degree of wrong propagation speed of discontinuities is highly dependent on the accuracy of the numerical method. The manner in which the smearing of discontinuities is contained by the numerical method and the overall amount of numerical dissipation being employed play major roles. Moreover, employing finite time steps and grid spacings that are below the standard Courant-Friedrich-Levy (CFL) limit on shockcapturing methods for compressible Euler and Navier-Stokes equations containing stiff reacting source terms and discontinuities reveals surprising counter-intuitive results. Unlike non-reacting flows, for stiff reactions with discontinuities, employing a time step and grid spacing that are below the CFL limit (based on the homogeneous part or non-reacting part of the governing equations) does not guarantee a correct solution of the chosen governing equations. Instead, depending on the numerical method, time step and grid spacing, the numerical simulation may lead to (a) the correct solution (within the truncation error of the scheme), (b) a divergent solution, (c) a wrong propagation speed of discontinuities solution or (d) other spurious solutions that are solutions of the discretized counterparts but are not solutions of the governing equations. The present investigation for three very different stiff system cases confirms some of the findings of Lafon & Yee (1996) and LeVeque & Yee (1990) for a model scalar PDE. The findings might shed some light on the reported difficulties in numerical combustion and problems with stiff nonlinear (homogeneous) source terms and discontinuities in general.

Yee, Helen M. C.↗

SIMS Studies of Allende Projectiles Fired into Stardust-type Aluminum Foils at 6 km/s

We have explored the feasibility of C-, N-, and O-isotopic measurements by NanoSIMS and of elemental abundance determinations by TOF-SIMS on residues of Allende projectiles that impacted Stardust-type aluminum foils in the laboratory at 6 km/s. These investigations are part of a consortium study aimed at providing the foundation for the characterization of matter associated with micro-craters that were produced during the encounter of the Stardust space probe with comet 81P/Wild 2. Eleven experimental impact craters were studied by NanoSIMS and eighteen by TOF-SIMS. Crater sizes were between 3 and 190 microns. The NanoSIMS measurements have shown that the crater morphology has only a minor effect on spatial resolution and on instrumental mass fractionation. The achievable spatial resolution is always better than 200 nm, and C- and O-isotopic ratios can be measured with a precision of several percent at a scale of several 100 nm, the typical size of presolar grains. This clearly demonstrates that presolar matter, provided it survives the impact into the aluminum foil partly intact, is recognizable even if embedded in material of Solar System origin. TOF-SIMS studies are restricted to materials from the crater rim. The element ratios of the major rockforming elements in the Allende projectiles are well characterized by the TOF-SIMS measurements, indicating that fractionation of those elements during impact can be expected to be negligible. This permits information on the type of impactor material to be obtained. For any more detailed assignments to specific chondrite groups, however, information on the abundances of the light elements, especially C, is crucial.

Hoppe, Peter↗

Explicit Discontinuous Galerkin Methods for Conservation Laws

The two explicit DG methods in this study are based on a ‘predictor-corrector’ formulation, the first introduced by Lörcher, Gassner, and Munz (2007, 2008) called space–time expansion discontinuous Galerkin or STE-DG scheme, and the second, introduced independently by the author (Huynh 2006, 2013) called the upwind moment scheme. The predictor step of the two methods is essentially identical using a Cauchy-Kovalevsky (CK) procedure, which involves no interaction of the data among neighboring cells. The corrector step also shares the same space-time integration formulation and is where interaction of the data among neighboring cells takes place; the difference, however, is in how the resulting space-time volume integral is estimated. As a consequence of the different estimates, for the case of advection in one spatial dimension (1D), the moment scheme has a CFL (Courant-Friedrichs-Lewy) condition of 1 for all p and is accurate to order 2p+1, i.e., it possesses the super accuracy property, whereas the STE-DG method has a more restrictive CFL condition and is accurate to the expected order of p+1. For 1D advection, compared with the CFL conditions of 1/(2p+1) of standard RK-DG (Runge-Kutta) scheme where space and time discretization are of the same order, the moment scheme allows a significantly larger time step size. It also turns out that the scheme yields a result identical to Van Leer’s scheme III (1977), which amounts to shifting the data a distance of advection corresponding to the time step and projecting the result onto the space of polynomial solutions. Contrary to Van Leer’s approach, however, the space-time ‘predictor-corrector’ formulation facilitates extensions to the case of systems of equations. Concerning 2D extensions, in the case of advection, when the flow is along the diagonal direction, the CFL conditions for the moment schemes become restrictive as will be shown by Fourier (Von Neumann) stability and accuracy analyses. Since the moment scheme employs the right Radau points as collocation points in time, the method is closely related to the implicit Radau IIA scheme, which is stable for any time step size. The role of Radau IIA in relieving stability restriction for these explicit DG schemes remains to be explored

Discontinuous Galerkin↗

Magnetic Microcalorimeter (MMC) Gamma-Ray Detectors with Ultra-High Energy Resolution. Comprehensive Technology Readiness Assessment

Magnetic Microcalorimeter (MMC) gamma ray detectors have demonstrated very high energy resolution of 38 eV FWHM for gamma ray energies below 100 keV. This is an order or magnitude better than conventional HPGe detector and can remove most line-overlap problems in NDA by gamma spectroscopy below ~130 keV. Unlike superconducting transition edge sensors (TESs), MMCs have a reproducible and almost perfectly linear response, which greatly simplifies adding spectra from different detector pixels and reduces systematic errors in quantitative assays. The instrument is currently at TRL-5 but could advance to TRL-6 by improving the signal processing software and using the system for the quantitative analysis of a safeguards sample provided by e.g. the IAEA. Making MMC detectors commercially viable and used more widely then depends on making the technology more reliable, specifically by increasing the device uniformity and yield, and by developing commercial software. This situation is often only half-jokingly referred to as the “valley of death” and could be addressed though the SBIR program. Our collaborators at STAR Cryoelectronics LLC are well qualified to further advance MMC development, and XIA LLC is well-positioned to develop the data acquisition system and write the software for MMC readout. In addition, the advance to TRL-6 would be desirable to increase the visibility and showcase the value of MMC spectrometers, e.g. by placing one of them into the Safeguards Analytical Laboratory (SAL) at the IAEA, whose NDA experts have recently started to show interest in cryogenic detector technology. As a result of this LCP, we also now have an instrument at LLNL that we will use for various applications of MMCs in nuclear safeguards and science. We are confident that as the number of high-profile results increases, so will the interest in and commercial viability of this technology.

42 ENGINEERING↗

Magnetic Microcalorimeter (MMC) Gamma-Ray Detectors with Ultra-High Energy Resolution. Comprehensive Technology Readiness Assessment

Magnetic Microcalorimeter (MMC) gamma ray detectors have demonstrated very high energy resolution of 38 eV FWHM for gamma ray energies below 100 keV. This is an order or magnitude better than conventional HPGe detector and can remove most line-overlap problems in NDA by gamma spectroscopy below ~130 keV. Unlike superconducting transition edge sensors (TESs), MMCs have a reproducible and almost perfectly linear response, which greatly simplifies adding spectra from different detector pixels and reduces systematic errors in quantitative assays. The instrument is currently at TRL-5 but could advance to TRL-6 by improving the signal processing software and using the system for the quantitative analysis of a safeguards sample provided by e.g. the IAEA. Making MMC detectors commercially viable and used more widely then depends on making the technology more reliable, specifically by increasing the device uniformity and yield, and by developing commercial software. This situation is often only half-jokingly referred to as the “valley of death” and could be addressed though the SBIR program. Our collaborators at STAR Cryoelectronics LLC are well qualified to further advance MMC development, and XIA LLC is well-positioned to develop the data acquisition system and write the software for MMC readout. In addition, the advance to TRL-6 would be desirable to increase the visibility and showcase the value of MMC spectrometers, e.g. by placing one of them into the Safeguards Analytical Laboratory (SAL) at the IAEA, whose NDA experts have recently started to show interest in cryogenic detector technology. As a result of this LCP, we also now have an instrument at LLNL that we will use for various applications of MMCs in nuclear safeguards and science. We are confident that as the number of high-profile results increases, so will the interest in and commercial viability of this technology.

42 ENGINEERING↗

Physical properties, internal structure, and the three‐dimensional petrography of CI chondrites

physical properties and the nature of their breccation, we investigated nine samples of the Ivuna and Orgueil CI chondrites ranging in size from 1 mm to 4 cm in approximate diameter. The combined mass of unique material investigated in this work is 113 g. For our investigations, we use ideal gas pycnometry, 3-D laser scanning, x-ray computed microtomography (μCT), and accompanying digital data extraction techniques. We found that the bulk density of the samples ranged from 1.61 to 2.10 g cm −3 . Larger samples tend to have a lower bulk density. Grain density (ranging from 2.44 to 2.55 g cm −3 ) is significantly less variable than the bulk density in our samples and the quantity of porosity (ranging from 14.6% to 33.8%) is the dominant factor in determining the bulk density of CI chondrite material. Our μCT results show that the visible porosity across all sizes of our CI chondrite samples is in the form of cracks, but these cracks can account for less than two-thirds of the porosity in the CI chondrites. Other porosity is not visible, even at μCT resolutions of 2.7 μm voxel edge −1 and we conclude that it is sub-micron in nature. It is not clear if the cracks seen in our samples are indigenous to the chondrites or are a result of terrestrial processes. We also find that the CI chondrites are excellent examples of the fractal-like nature of brecciation, where clasts can be observed at all scales we imaged. The breccias are composed of sub-equant-shaped and sub-rounded-textured clasts like melt-free impact breccias on other solar system bodies. From our μCT volume and digital data extraction, we determine that the Ivuna CI chondrite breccia is organized: the mostly sub-equant clasts within our ~2 cm chunk of Ivuna have a mean diameter of 1.33 mm and their aligned longest axes define a lineation structure. We speculate that the lineation was imparted after fragmentation of the clasts by slight shear on the parent asteroid which could be the result of seismic-related granular flow or mild non-axial impact-related compaction. These data will help to place returned asteroidal material from asteroids 162173 Ryugu and 101955 Bennu and the CI chondrites into a mutual geological context.

CI chondrite↗

Spin-momentum entanglement in a Bose–Einstein condensate

Here, entanglement is at the core of quantum information processing and may prove essential for quantum speed-up. Inspired by both theoretical and experimental studies of spin-momentum coupling in systems of ultra-cold atoms, we investigate the entanglement between the spin and momentum degrees of freedom of an optically trapped BEC of 87 Rb atoms. We consider entanglement that arises due to the coupling of these degrees of freedom induced by Raman and radio-frequency fields and examine its dependence on the coupling parameters by evaluating von Neumann entropy as well as concurrence as measures of the entanglement attained. Our calculations reveal that under proper experimental conditions significant spin-momentum entanglement can be obtained, with von Neumann entropy of 80% of the maximum attainable value. Our analysis sheds some light on the prospects of using BECs for quantum information applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electro-Optical Design for Efficient Visual Communication

Visual communication, in the form of telephotography and television, for example, can be regarded as efficient only if the amount of information that it conveys about the scene to the observer approaches the maximum possible and the associated cost approaches the minimum possible. Elsewhere we have addressed the problem of assessing the end to end performance of visual communication systems in terms of their efficiency in this sense by integrating the critical limiting factors that constrain image gathering into classical communications theory. We use this approach to assess the electro-optical design of image gathering devices as a function of the f number and apodization of the objective lens and the aperture size and sampling geometry of the phot-detection mechanism. Results show that an image gathering device that is designed to optimize information capacity performs similarly to the human eye. For both, the performance approaches the maximum possible, in terms of the efficiency with which the acquired information can be transmitted as decorrelated data, and the fidelity, sharpness, and clearity with which fine detail can be restored.

Huck, Friedrich O.↗

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.13 Theory Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Theory Manual (V.6.15)

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.16 Theory Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota’s iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Inverse Trans Influence and Uranium-Arene σ-Bonding Drive Molecular Geometry: Ligand Modification from Hard to Soft Flips the Oxide from Axial to Equatorial

A rare example of an equatorially bound terminal uranium(V) oxo complex in a chelating sulfur-based ligand environment, namely [(mes( Me,Ad ArS) 3 )U V (O eq )(THF)] (2), is presented. Octahedrally coordinated 2 is obtained by reaction of the mesitylene-anchored tris-thiophenolate-coordinated uranium(III) complex [U III ((SAr Ad,Me ) 3 mes)] (1) with the oxygen-atom transfer reagent N 2 O. The observed, equatorially bound oxo ligand in 2 is in stark contrast to its known tris-aryloxide analog, [(mes( Me,Ad ArO) 3 )U V (O ax )(THF)] (A), where the oxo ligand occupies the typically observed axial coordination site. Complexes 1 and 2 are characterized by single-crystal X-ray diffraction analyses and spectroscopic and magnetochemical methods, including 1 H NMR, UV/vis/NIR electronic absorption, as well as EPR spectroscopy and SQUID magnetometry, thus confirming the C S symmetry and the pentavalent oxidation state of 2. Encompassing quantum chemical calculations (DFT and CASPT2) on 2 and its tris-phenolate analog A, support and rationalize the structural and electronic differences. The molecular orbital pictures show that a stabilizing σ-bonding interaction arising from the U–O eq inverse trans influence (ITI) is present in 2 but missing in A. In 2, the sulfur 3p orbitals are closer in energy to the uranium 5f manifold than the arene π-system, leading to an ITI, while U–arene σ- or δ-bonding is not observed. Although the arene orbitals remain separated from the uranium 5f orbitals in A, the absence of an ITI allows the arene a 2u orbital to engage in a σ-type interaction with the metal. Thus, incorporating a tris-thiophenolate to an arene anchor introduces a new design concept in molecular f-element chemistry. This approach stabilizes an equatorially bound U(V) oxo center, contrasting with its tris-phenolate counterpart, where oxo coordination is axial. The observed geometric divergence, driven by competing ITI and U–arene interactions, not only tunes electronic structure but also leads to differentiated reactivity: only the phenolate analogs activate H 2 O, while the thiolates do not.

Hydrocarbons↗

Photoinduced Charge Carrier Dynamics and Electron Injection Efficiencies in Au Nanoparticle-Sensitized TiO 2 Determined with Picosecond Time-Resolved X-ray Photoelectron Spectroscopy

Progress in the development of plasmon-enabled light-harvesting technologies requires a better understanding of their fundamental operating principles and current limitations. In this work, we employ picosecond time-resolved X-ray photoemission spectroscopy to investigate photoinduced electron transfer in a plasmonic model system composed of 20 nm sized gold nanoparticles (NPs) attached to a nanoporous film of TiO 2 . The measurement provides direct, quantitative access to transient local charge distributions from the perspectives of the electron donor (AuNP) and the electron acceptor (TiO 2 ). On average, approximately two electrons are injected per NP, corresponding to an electron injection yield per absorbed photon of 0.1%. Back electron transfer from the perspective of the electron donor is dominated by a fast recombination channel proceeding on a time scale of 60 ± 10 ps and a minor contribution that is completed after ~1 ns. The findings provide a detailed picture of photoinduced charge carrier generation in this NP–semiconductor junction, with important implications for understanding achievable overall photon-to-charge conversion efficiencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dakota A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis: Version 6.12 Theory Manual

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Dakota A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis (V.6.14) (Theory Manual)

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a theoretical manual for selected algorithms implemented within the Dakota software. It is not intended as a comprehensive theoretical treatment, since a number of existing texts cover general optimization theory, statistical analysis, and other introductory topics. Rather, this manual is intended to summarize a set of Dakota-related research publications in the areas of surrogate-based optimization, uncertainty quantification, and optimization under uncertainty that provide the foundation for many of Dakota's iterative analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

SAGA1 and MITH1 produce matrix-traversing membranes in the CO2-fixing pyrenoid

Abstract Approximately one-third of global CO 2 assimilation is performed by the pyrenoid, a liquid-like organelle found in most algae and some plants. Specialized pyrenoid-traversing membranes are hypothesized to drive CO 2 assimilation in the pyrenoid by delivering concentrated CO 2 , but how these membranes are made to traverse the pyrenoid matrix remains unknown. Here we show that proteins SAGA1 and MITH1 cause membranes to traverse the pyrenoid matrix in the model alga Chlamydomonas reinhardtii . Mutants deficient in SAGA1 or MITH1 lack matrix-traversing membranes and exhibit growth defects under CO 2 -limiting conditions. Expression of SAGA1 and MITH1 together in a heterologous system, the model plant Arabidopsis thaliana , produces matrix-traversing membranes. Both proteins localize to matrix-traversing membranes. SAGA1 binds to the major matrix component, Rubisco, and is necessary to initiate matrix-traversing membranes. MITH1 binds to SAGA1 and is necessary for extension of membranes through the matrix. Our data suggest that SAGA1 and MITH1 cause membranes to traverse the matrix by creating an adhesive interaction between the membrane and matrix. Our study identifies and characterizes key factors in the biogenesis of pyrenoid matrix-traversing membranes, demonstrates the importance of these membranes to pyrenoid function and marks a key milestone toward pyrenoid engineering into crops for improving yields.

Hennacy, Jessica H.↗

The need for carbon-emissions-driven climate projections in CMIP7

Abstract. Previous phases of the Coupled Model Intercomparison Project (CMIP) have primarily focused on simulations driven by atmospheric concentrations of greenhouse gases (GHGs), for both idealized model experiments and climate projections of different emissions scenarios. We argue that although this approach was practical to allow parallel development of Earth system model simulations and detailed socioeconomic futures, carbon cycle uncertainty as represented by diverse, process-resolving Earth system models (ESMs) is not manifested in the scenario outcomes, thus omitting a dominant source of uncertainty in meeting the Paris Agreement. Mitigation policy is defined in terms of human activity (including emissions), with strategies varying in their timing of net-zero emissions, the balance of mitigation effort between short-lived and long-lived climate forcers, their reliance on land use strategy, and the extent and timing of carbon removals. To explore the response to these drivers, ESMs need to explicitly represent complete cycles of major GHGs, including natural processes and anthropogenic influences. Carbon removal and sequestration strategies, which rely on proposed human management of natural systems, are currently calculated in integrated assessment models (IAMs) during scenario development with only the net carbon emissions passed to the ESM. However, proper accounting of the coupled system impacts of and feedback on such interventions requires explicit process representation in ESMs to build self-consistent physical representations of their potential effectiveness and risks under climate change. We propose that CMIP7 efforts prioritize simulations driven by CO2 emissions from fossil fuel use and projected deployment of carbon dioxide removal technologies, as well as land use and management, using the process resolution allowed by state-of-the-art ESMs to resolve carbon–climate feedbacks. Post-CMIP7 ambitions should aim to incorporate modeling of non-CO2 GHGs (in particular, sources and sinks of methane and nitrous oxide) and process-based representation of carbon removal options. These developments will allow three primary benefits: (1) resources to be allocated to policy-relevant climate projections and better real-time information related to the detectability and verification of emissions reductions and their relationship to expected near-term climate impacts, (2) scenario modeling of the range of possible future climate states including Earth system processes and feedbacks that are increasingly well-represented in ESMs, and (3) optimal utilization of the strengths of ESMs in the wider context of climate modeling infrastructure (which includes simple climate models, machine learning approaches and kilometer-scale climate models).

54 ENVIRONMENTAL SCIENCES↗

Study of Pile-Up Effects in Decay Energy Spectroscopy

Pile-up is an unavoidable complication for cryogenic detectors with relatively large heat capacities and slow rise time, such as systems for decay energy spectroscopy employing large Au absorbers. We have simulated the spectral response of such slow cryogenic detectors using Monte-Carlo algorithms to investigate the effects of pile-up on absolute and relative activity measurements. We focus on the impact of non-distinguishable pile-up that occurs when the rising edges of two waveforms originating from different events overlap in time and are interpreted as a single event. This effect can not be readily identified and corrected in experimental data. We investigated two representative cases of absolute decay counting and plutonium isotopic analysis and find that pile-up can distort the reconstruction of both the absolute and relative activities. This Monte-Carlo methodology quantifies of pile-up effects and provides a systematic methodology for calculating corrective factors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗