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At least 1,081 records · Page 60

Atmospheric Chemical Transport Based on High Resolution Model- Derived Winds: A Case Study

Flight 10 of NASA's Subsonic Assessment (SASS) Ozone and Nitrogen Oxide Experiment (SONEX) extended southwest of Lajes, Azores. A variety of chemical signatures were encountered. These signatures are examined in detail, relating them to meteorological data from a high resolution numerical model having horizontal grid spacing of 30 and 90 km and 26 vertical levels. The meteorological output at hourly intervals is used to create backward trajectories from the locations of the chemical signatures. Four major categories of chemical signatures are discussed-stratospheric, lightning, continental pollution, and a transition layer. The strong stratospheric signal is encountered just south of the Azores in a region of depressed tropopause height. Three chemical signatures at different altitudes in the upper troposphere are attributed to lightning. Backward trajectories arriving at locations of these signatures are related to locations of cloud-to-ground lightning. Results show that the trajectories pass through regions of lightning 1-2 days earlier over the eastern Gulf of Mexico and off the southeast coast of the United States. The lowest leg of the flight exhibits a chemical signature consistent with continental pollution. Trajectories arriving at this signature are found to pass over the highly populated Northeast Corridor of the United States. Surface based pollution apparently is lofted to the altitudes of the trajectories by convective clouds along the East Coast that did not contain lightning. Finally, a chemical transition layer is described. Its chemical signature is intermediate to those of lightning and continental pollution. Trajectories arriving in this layer pass between the trajectories of the lightning and pollution signatures. Thus, they probably are impacted by both sources.

Hannan, John R.↗

Light hydrocarbon and noble gas migration as an analogue for potential CO 2 leakage: numerical simulations and field data from three hydrocarbon systems

Abstract Sites where anthropogenic CO 2 captured from industrial sources is stored in deep geological formations for climate change mitigation are required to show secure retention of the injected CO 2 . Monitoring, reporting, and verification (MRV) plans are needed to indicate that no CO 2 release has occurred. We explored the degree to which direct comparison between a surface anomaly and reservoir geochemistry using various geochemical parameters can be used for attribution. We used data collected on light hydrocarbons and noble gases throughout the sedimentary column at three CO 2 enhanced oil recovery (EOR) sites to understand the processes that may cause fluid evolution. Light hydrocarbon and noble gases were sampled from reservoirs, gas‐bearing intervals above reservoirs, and groundwater. Vertical profiles indicated that lighter components are relatively enriched during migration (i.e. chromatographic separation). Static and numerical models were designed to simulate episodic gas migration and geochemical alteration of these geochemical parameters from solubility and sorption. The effects of hydrocarbon solubility were minimal (Bernard ratio changes within 5.2%) although field data were within the range of expected alterations from sorption. Forward models of CO 2 migration and noble gas interactions showed that CO 2 stripping causes an enrichment of crustal noble gases. In areas where natural fluxes of CO 2 from depth are non‐existent, the occurrence of crustal noble gas signature may distinguish fugitive CO 2 from the reservoir from natural near‐surface sources, and could be considered to explain apparent fluid anomalies. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.

Anderson, Jacob↗

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Hubble Space Telescope Survey for Novae in M87. II. Snuffing out the Maximum Magnitude–Rate of Decline Relation for Novae as a Non-standard Candle, and a Prediction of the Existence of Ultrafast Novae

The extensive grid of numerical simulations of nova eruptions from the work of Yaron et al. first predicted that some classical novae might significantly deviate from the Maximum Magnitude–Rate of Decline (MMRD) relation, which purports to characterize novae as standard candles. Kasliwal et al. have announced the observational detection of a new class of faint, fast classical novae in the Andromeda galaxy. These objects deviate strongly from the MMRD relationship, as predicted by Yaron et al. Recently, Shara et al. reported the first detections of faint, fast novae in M87. These previously overlooked objects are as common in the giant elliptical galaxy M87 as they are in the giant spiral M31; they comprise about 40% of all classical nova eruptions and greatly increase the observational scatter in the MMRD relation. We use the extensive grid of the nova simulations of Yaron et al. to identify the underlying causes of the existence of faint, fast novae. These are systems that have accreted, and can thus eject, only very low-mass envelopes, of the order of 10{sup −7}–10{sup −8} M {sub ⊙}, on massive white dwarfs. Such binaries include, but are not limited to, the recurrent novae. These same models predict the existence of ultrafast novae that display decline times, t {sub 2,} to be as short as five hours. We outline a strategy for their future detection.

79 ASTRONOMY AND ASTROPHYSICS↗

Waveguide Modes in a Planar Graphene–Dielectric Thin-Layer Structure

Particular features of waveguide propagation of modes in a planar structure that consists of alternating layers of a dielectric and graphene are investigated. Within the effective-medium approximation, dispersion relations are obtained for symmetric and antisymmetric waveguide modes. Based on their numerical analysis, the frequency dependences of the propagation and decay constants, of the group and phase velocities, and of the energy flux carried by waveguide modes are constructed. The influence of the fraction of graphene in the structure on the behavior of waveguide modes is analyzed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Technical Evaluation Report for the NDMAS AGR-5/6/7 TRISO Irradiation Monitoring System

The Nuclear Data Management and Analysis System (NDMAS) manages irradiation experiment data collected under the Advanced Gas Reactor (AGR) Fuel Development and Qualification program within the Advanced Reactor Technologies Technology Development Office. The AGR-5/6/7 irradiation experiment combines the fifth, sixth, and seventh planned irradiation campaigns of the U.S. Department of Energy AGR Fuel Development and Qualification Program. These combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions (PNL-5245). Experimental irradiation measurements for this experiment (i.e., thermocouple temperature, gas flow rate, fission product release rate, gross gamma count, and Advanced Test Reactor (ATR) operational parameters) are captured automatically to the NDMAS database. Data derived from numerical simulation or other mathematical analyses (i.e., fast fluence, burnup, temperature, and fission product release to birth ratio) are captured to the database when provided by the researchers. The NDMAS database is a relational database accessed via structured query language and managed with Microsoft SQL Server. While select users can directly access the database, that is not the most convenient way to interact with the data. The NDMAS team constructs numerous tables that combine related datasets, and delivers those data to researchers via graphs and spreadsheets on a Microsoft SharePoint-based website. For the AGR-5/6/7 experimental data, a new subsite has been developed, along with a set of web pages. These pages will be used by members of fuel irradiation team for monitoring irradiation conditions according to specification (SPC-1749), by the physics modelers to access necessary model inputs, and by the nuclear engineering community to view and access data such as fuel temperatures, fission product release from capsules, and ATR operational parameters. The deliverable represented in this document is a SharePoint website containing tables of the AGR-5/6/7 measured and calculated data, graphs displaying the data, and links to source documents and references.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AGR-5/6/7 Irradiation Monitoring Web Site Design

The Nuclear Data Management and Analysis System (NDMAS) manages irradiation experiment data collected under the Advanced Gas Reactor (AGR) Fuel Development and Qualification program within the Advanced Reactor Technologies Technology Development Office. The AGR-5/6/7 irradiation experiment combines the fifth, sixth, and seventh planned irradiation campaigns of the U.S. Department of Energy AGR Fuel Development and Qualification Program. These combined irradiation tests will consist of fuel qualification tests (AGR-5/6) and a margin test (AGR-7) for the industrially produced uranium oxycarbide (UCO) tristructural isotropic (TRISO) coated particle fuel developed by the AGR program. The objective of the AGR-5/6/7 irradiation experiment is to establish the performance of UCO TRISO fuel fabricated using engineering-scale equipment in a production environment under and beyond normal operating conditions (PNL-5245). Experimental irradiation measurements for this experiment (i.e., thermocouple temperature, gas flow rate, fission product release rate, gross gamma count, and Advanced Test Reactor (ATR) operational parameters) are captured automatically to the NDMAS database. Data derived from numerical simulation or other mathematical analyses (i.e., fast fluence, burnup, temperature, and fission product release to birth ratio) are captured to the database when provided by the researchers. The NDMAS database is a relational database accessed via structured query language and managed with Microsoft SQL Server. While select users can directly access the database, that is not the most convenient way to interact with the data. The NDMAS team constructs numerous tables that combine related datasets, and delivers those data to researchers via graphs and spreadsheets on a Microsoft SharePoint-based website. For the AGR-5/6/7 experimental data, a new subsite has been developed, along with a set of web pages. These pages will be used by members of fuel irradiation team for monitoring irradiation conditions according to specification (SPC-1749), by the physics modelers to access necessary model inputs, and by the nuclear engineering community to view and access data such as fuel temperatures, fission product release from capsules, and ATR operational parameters. The deliverable represented in this document is a SharePoint website containing tables of the AGR-5/6/7 measured and calculated data, graphs displaying the data, and links to source documents and references.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Relations between Shot Noise, Gain Bandwidth, and Saturation of Instabilities

There are numerous instabilities present in charged particle beams that undergo exponential growth and reach saturation. In various applications, such as free-electron lasers or micro-bunching light sources, achieving saturation is desirable. Conversely, there are applications where these instabilities are utilized as linear broad-band amplifiers for signals embedded in the charged beam. In the latter scenario, the saturation of an instability induces non-linear distortions in the imprinted signal, thereby limiting the useful range of such amplifiers. Accurate evaluation of these instabilities necessitates a complete and comprehensive modeling approach that includes shot noise within the beam. Unfortunately, such modeling is not always feasible or practical. In this paper, we introduce a methodology utilizing the frequency and bandwidth of the instability as key parameters. Through this, we derive an estimation for the range of linear instability growth. Our derivation is conducted in a model-independent manner, making it applicable to a broad spectrum of instabilities. To validate our approach, we employ established and thoroughly benchmarked simulations with a free electron laser (FEL) code as well as self-consistent 3-dimensional simulation of plasma-cascade instability using code SPACE.

43 PARTICLE ACCELERATORS↗

Numerical solution of compressible viscous flows

The presented review is concerned with the problem of calculating compressible viscous flows. Basic numerical considerations and problems associated with calculating viscous flows are examined and current numerical approaches toward the solution of the Navier-Stokes equations are discussed. It is pointed out that the numerical solution of the full time-dependent equations for turbulent flow is not practical with present computers. Therefore, turbulence effects must be accounted for by modeling. Developments related to turbulence modeling are described. In connection with a discussion of numerical methods for solving viscous flow equations, attention is given to numerical domains of dependence of typical explicit and implicit methods, the diffusion problem, the convection-diffusion problem, and the split-hybrid method.

Maccormack, R. W.↗

Modeling creep behavior of fiber composites

A micromechanical model for the creep behavior of fiber composites is developed based on a typical cell consisting of a fiber and the surrounding matrix. The fiber is assumed to be linearly elastic and the matrix nonlinearly viscous. The creep strain rate in the matrix is assumed to be a function of stress. The nominal stress-strain relations are derived in the form of differential equations which are solved numerically for off-axis specimens under uniaxial loading. A potential function and the associated effective stress and effective creep strain rates are introduced to simplify the orthotropic relations.

Chen, J. L.↗

A subdivision-stabilized B-spline mixed material point method

Subjected to external loadings, polymeric materials, e.g., biological tissues, hydrogels, and elastomers, may undergo extreme, nearly incompressible, (self-)contact deformations. For numerical modeling employing mesh-based techniques such as the finite element method (FEM), these deformations pose significant challenges due to large distortions in the deformed geometry, accuracy issues stemming from volumetric locking effects, and increased computational cost from complex contact searches. As an alternative to mesh-based methods, the material point method (MPM), a continuum-based particle technique, is gaining attention for its ability to handle extreme distortions and capture no-slip contact without added cost. For nearly incompressible material behaviors, while mixed formulations can address locking effects by treating displacements and pressure as independent fields, they can suffer from numerical instabilities close to the incompressibility limit due to the violation of the inf-sup condition, leading to inaccurate nodal pressure solutions. Here we propose an efficient and stable mixed B-spline material point method with highest achievable regularity for quasi-compressible polymeric materials. Using the two-scale relation of B-splines, we introduce a subdivision-stabilization for the two-field mixed MPM and obtain numerically stable, oscillation-free nodal solutions with equal-order interpolations with optimal regularity. Building on the Eulerian-Lagrangian nature of MPM, a previously-converged solution framework is adopted to mitigate issues related to cell-crossing and numerical fracture artifact present in standard MPM. We assess the stability and accuracy of the developed mixed MPM at large deformations for soft materials through the benchmark Cook’s membrane problem. Additionally, we test the robustness of the proposed MPM by modeling several examples, including the compression and indentation of a circular block into a quasi-compressible substrate and the twisting deformation of a rectangular block. The findings demonstrate the MPM’s capabilities for modeling practical soft material applications.

36 MATERIALS SCIENCE↗

On the convergence and convergence order of finite volume gradient schemes for oblique derivative boundary value problems

This work is an improvement of the previous note (Bradji in: Fuhrmann et al., Finite volumes for complex applications VII–methods, theoretical aspects. Proceedings of the FVCA 7, Berlin, 2014) which dealt with the convergence analysis of a finite volume scheme for the Poisson’s equation with a linear oblique derivative boundary condition. The formulation of the finite volume scheme given in Bradji (in: Fuhrmann et al., Finite volumes for complex applications VII–methods, theoretical aspects. Proceedings of the FVCA 7, Berlin, 2014) involves the discrete gradient introduced recently in Eymard et al. (IMA J Numer Anal 30(4):1009–1043, 2010). In this paper, we consider the convergence analysis of finite volume schemes involving the discrete gradient of Eymard et al. (IMA J Numer Anal 30(4):1009–1043, 2010) for elliptic and parabolic equations with linear oblique derivative boundary conditions. Linear oblique derivative boundary conditions arise for instance in the study of the motion of water in a canal, cf. Lesnic (Commun Numer Methods Eng 23(12):1071–1080, 2007). We derive error estimates in several norms which allow us to get error estimates for the approximations of the exact solutions and its first derivatives. In particular, we provide an error estimate between the gradient of the exact solutions and the discrete gradient of the approximate solutions. Convergence of the family of finite volume approximate solutions towards the exact solution under weak regularity assumption is also investigated. In the case of parabolic equations with oblique derivative boundary conditions, we develop a new discrete a priori estimate result. The proof of this result is based on the use of a discrete mean Poincaré–Wirtinger inequality. Thanks to the stated a priori estimate and to a comparison with an appropriately chosen auxiliary finite volume scheme, we derive the convergence results. This work can be viewed as a continuation of the previous work (Bradji and Gallouët in Int J Finite Vol 3(2):1–35, 2006) where a convergence analysis for a finite volume scheme, based on the admissible mesh of Eymard et al. (In: Ciarlet and Lions, Handbook of numerical analysis, North-Holland, Amsterdam, 2000), for the Poisson’s equation with a linear oblique derivative boundary conditions is given. The obtained convergence results do not require any relation between the mesh sizes of the spatial and time discretizations. Some numerical tests are presented for both elliptic and parabolic equations. In particular, we present three methods to compute the discrete solution.

97 MATHEMATICS AND COMPUTING↗

Scaling and Systems Considerations in Pulsed Inductive Thrusters

Performance scaling in pulsed inductive thrusters is discussed in the context of previous experimental studies and modeling results. Two processes, propellant ionization and acceleration, are interconnected where overall thruster performance and operation are concerned, but they are separated here to gain physical insight into each process and arrive at quantitative criteria that should be met to address or mitigate inherent inductive thruster difficulties. The effects of preionization in lowering the discharge energy requirements relative to a case where no preionization is employed, and in influencing the location of the initial current sheet, are described. The relevant performance scaling parameters for the acceleration stage are reviewed, emphasizing their physical importance and the numerical values required for efficient acceleration. The scaling parameters are then related to the design of the pulsed power train providing current to the acceleration stage. The impact of various choices in pulsed power train and circuit topology selection are reviewed, paying special attention to how these choices mitigate or exacerbate switching, lifetime, and power consumption issues.

Polzin, Kurt A.↗

Shear Instabilities as a Probe of Jupiter's Atmosphere

Linear wave patterns in Jupiter clouds with wavelengths strongly clustered around 300 km are commonly observed in the planet's equatorial atmosphere. We propose that the preferred wavelength is related to the thickness of an unstable shear layer within the clouds. We numerically analyze the linear stability of wavelike disturbances that have nonzero horizontal phase speeds in Jupiter's atmosphere and find that. if the static stability in the strongly clustered around 300 km are commonly observed in the planet's equatorial atmosphere. We propose that the preferred wavelength is related to the thickness of an unstable shear layer within the clouds. We numerically analyze the linear stability of wavelike disturbances that have nonzero horizontal phase speeds in Jupiter's atmosphere and find that. if the static stability in the shear layer is very low (but still nonnegative), a deep vertical shear layer like the one measured by the Galileo probe can generate the instabilities. The fastest growing waves grow exponentially within an hour, and their wavelengths match the observations. Close to zero values of static stability that permit the growth of instabilities are within the range of values measured by the Galileo probe in a hot spot. Our model probes Jupiter's equatorial atmosphere below the cloud deck and suggests that thick regions of wind shear and low static stability exist outside hot spots.

Bosak, Tanja↗

On an origin of numerical diffusion: Violation of invariance under space-time inversion

The invariant properties of the convection equation du/dt + adu/dx = 0 (where d is the partial differential operator) with respect to spatial reflection, time reversal, and space-time inversion are studied. Generally, a finite-difference analog of this equation may possess some or none of these properties. It is shown that, under certain conditions, the von Neumann amplification factor of an analog satisfies a special relation for each invariant property this analog possesses. Particularly, an analog is neutrally stable and thus free of numerical diffusion if it possesses the invariant property related to space-time inversion. It is also explained why generally (1) an upwind scheme possesses neither the invariant property related to spatial reflection nor that related to space-time inversion, and (2) an explicit scheme possesses neither the invariant property related to time reversal nor that related to space-time inversion. Extension to the viscous case and a remarkable connection between the current work and a new numerical framework for solving conservation laws are also discussed.

Chang, Sin-Chung↗

A Systems Biology Approach to Energy Flow in H 2 Producing Microbial Communities: Microbial Mats

This report describes the results of work conducted at NASA Ames Research Center, in collaboration with investigators at Lawrence Livermore National Laboratory, during the time period 12/15/2014 to 12/15/2017. The work was an extension of a collaboration with LLNL that began in 2008. Work this reporting period focused primarily on tasks related to microbial mats from both the Elkhorn Slough and Baja California field sites, including the analysis and publication of data produced prior to 12/15/2014. During this reporting period, in addition to the microbial mat work, we also conducted a series of experiments with a particular algal-bacterial association (C. sorokiniana and A. brasilense). A number of aspects of this well-characterized algal-bacterial association enabled us not only to further our understanding of interactions between these particular organisms, but to apply that knowledge and techniques to our collection of microorganisms isolated from microbial mats. Microbial mat experiments focused both on intact mat communities and on cultures of organisms isolated from the mats (the Microbial Mat Living Library). In a series of co-culture experiments, we documented both positive and negative interactions amongst heterotrophic and autotrophic isolates of microbial mat microorganisms. One particularly important and novel mat cyanobacterium (ESFC-1) was studied in detail. We developed techniques to pursue an investigation of functional redundancy (the idea that closely related organisms perform identical roles in a community) in cyanobacterial autotrophs in the Elkhorn Slough microbial mat. In those experiments, we documented numerous instances of increases in growth rate between co-cultures of two organisms (relative to their growth rate in isolation) performing what would seem to be identical functional roles. Simplified microbial mat communities consisting of organisms from the Microbial Mat Living Library were constructed and studied in laboratory experiments. The “constructed mats” were grown in standard laboratory glassware and plasticware, but cultures were also combined with artificial materials in an effort to re-create the three-dimensional structure of naturally occurring microbial mats. These constructed mats re-created a number of functions attributable to natural microbial mats (N-fixation, H2-production) and simplified their study using molecular ecological techniques due to the smaller number of microbial “species” present. Cyanobacteria which migrated in response to vertical variations in light intensity (irradiance) obtained characteristic positions in constructed mats that were similar to their positions in natural mats. A detailed investigation of nitrogen cycling in both the Baja California and Elkhorn Slough microbial mats was initiated during this reporting period. The nitrogen cycle in the microbial mats has not been studied in depth, despite the fact that nitrogen usually limits growth in marine environments. The organisms conducting nitrogen cycling in both microbial mats were studied using the genomes available from earlier work on these mats, as well as with a targeted approach using molecular ecological methods developed here. Quantitative measurements of rates of nitrogen transformations were made using stable isotopically labeled nitrogen. The processes quantified and examined using molecular ecological methods included: nitrogen fixation, ammonification, ammonium and nitrate assimilation, denitrification, anaerobic oxidation of ammonium, and dissimilatory nitrate reduction to ammonium. In a series of experiments designed to examine a potential application for microbial mats, we demonstrated that both Elkhorn Slough and Baja California microbial mats were very effective in removing large quantities of both nitrate and ammonium from waste streams containing these compounds at levels where they would be considered to be pollutants. Considerable effort was expended during this reporting period to analyze, and prepare for publication, metagenomes and metatranscriptomes collected from two experimental manipulations of microbial mats. The first, a diel study, was conducted in November 2011, while the second, an investigation of the effects of sulfate on community composition, was conducted during this reporting period. For the earlier study, reference-based and reference-free methods were used to assess microbial ecology and genetic partitioning in these complex microbial systems, and that work is available as a pre-print. Four metagenomes from the same experiment were published. In the second, longer (nearly 200 day) manipulation, rRNA iTag libraries for cDNA and DNA were analyzed to determine the effects of sulfate concentration on microbial mat community composition over the course of the experiment. Work on the algal-bacterial association (Chlorella sorokiniana and Azospirillum brasilense) focused initially on demonstrating the transfer of carbon and nitrogen between the partners, using stable isotopic labeling and the LLNL NanoSIMS. Subsequently, the potential role of diazotrophy (nitrogen fixation) by the bacterial partner in supporting the growth of the association was assessed in a series of experiments. It appears to be the case that, although the bacterial partner demonstrably increases the fitness of the algae under nitrogen limitation, and cells of C. sorokiniana receive nitrogen originally fixed from atmospheric nitrogen by A. brasilense, the amount of nitrogen obtained by diazotrophy is too small to explain the increase in fitness.

08 HYDROGEN↗

Impacts of Bulk Microphysics Scheme Structural Choices on Simulations of Rain Initiation Through Drop Coalescence

This study examines how different structural choices in bulk microphysics schemes impact the simulation of warm rain initiation. A single liquid category (SLC) approach prognosing up to four moments of a single drop size distribution (DSD) is compared to the traditional two-category, two-moment approach with separate DSDs for cloud and rain (four total prognostic variables). Different methods for calculating tendencies of the prognostic variables from drop collision-coalescence are also tested: a discretized numerical-integration approach, machine learning via neural networks, lookup tables, and traditional power law fits. Relative to simulations using a bin microphysics model, SLC gives smaller error overall than the two-category approach when numerical integration is used to calculate the collision-coalescence tendencies for both. Replacing the numerical integration with a pre-computed lookup table reduces computational cost with little loss of accuracy. However, using fitted power laws with SLC to represent the collision-coalescence tendencies substantially reduces accuracy and leads to an order of magnitude increase in error. It is also demonstrated that with SLC, reasonably accurate solutions are obtained using only three prognostic moments, while a two-moment SLC scheme leads to substantial error. Overall, both the choice of prognostic moments (e.g., SLC vs. two-category) and method to calculate the collision-coalescence tendencies are important to consider for minimizing errors in bulk schemes. SLC with a sufficiently detailed calculation of the collision-coalescence tendencies provides accurate solutions for a reasonable computational cost, providing a viable alternative to the traditional two-category, two-moment approach for bulk microphysics.

320 (cloud physics and chemistry)↗

Problem-tailored Simulation of Energy Transport on Noisy Quantum Computers

The transport of conserved quantities like spin and charge is fundamental to characterizing the behavior of quantum many-body systems. Numerically simulating such dynamics is generically challenging, which motivates the consideration of quantum computing strategies. However, the relatively high gate errors and limited coherence times of today's quantum computers pose their own challenge, highlighting the need to be frugal with quantum resources. In this work we report simulations on quantum hardware of infinite-temperature energy transport in the mixed-field Ising chain, a paradigmatic many-body system that can exhibit a range of transport behaviors at intermediate times. We consider a chain with L = 12 sites and find results broadly consistent with those from ideal circuit simulators over 90 Trotter steps, containing up to 990 entangling gates. To obtain these results, we use two key problem-tailored insights. First, we identify a convenient basis – the Pauli Y basis – in which to sample the infinite-temperature trace and provide theoretical and numerical justifications for its efficiency relative to, e.g., the computational basis. Second, in addition to a variety of problem-agnostic error mitigation strategies, we employ a renormalization strategy that compensates for global nonconservation of energy due to device noise. We discuss the applicability of the proposed sampling approach beyond the mixed-field Ising chain and formulate a variational method to search for a sampling basis with small sample-to-sample fluctuations for an arbitrary Hamiltonian. This opens the door to applying these techniques in more general models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗