A Comprehensive Cross-Model Framework for Benchmarking the Performance of Quantum Hamiltonian Simulations
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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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DECOVALEX-2023: Task C Final Report
The Full-scale Emplacement (FE) heater experiment at the Mont Terri Underground Rock Laboratory (URL) was designed and conducted by Nagra to replicate an emplacement tunnel of Nagra’s reference repository design at 1:1 scale. Alongside testing the technical feasibility of constructing disposal tunnels, emplacing waste containers in the tunnels and then backfilling them, the main goals of the FE experiment are (1) to obtain a better understanding of the coupled effects of induced thermo-hydro-mechanical (THM) processes that may occur and (2) to validate existing coupled THM models (Müller et al., 2017). A key aspect of ensuring safety for repositories located in low-permeability rock involves minimizing any damage to the rock itself, thereby preserving its integrity and promoting a stable environment Amongst a number of processes that could damage the rock is the increase in pore pressure due to thermal loading caused by heat emitted from the waste. To reduce the potential damage of the rock, it is important to analyse the evolution of heat over time due to the heat load of the containers and assess possible consequences by coupled THM models. The aim of Task C of DECOVALEX-2023 was to build 3D numerical models of the FE experiment, focussing in particular on the heating induced pore pressure change in the Opalinus Clay. Data from a large number of sensors were available from the FE experiment for model comparison. These sensors measured temperature and relative humidity in the bentonite around the heaters, and temperature, pressure and displacement/strain in the surrounding Opalinus clay. Data were available from the start of excavation (April 2012) up to August 2020 for most sensors (more than 5 years from the start of heating in December 2014). To fulfil the overall aim of the task, the work was broken down into a number of steps, starting with simpler models to build confidence in each team’s approach and then moving to more complex models that better represent the FE experiment. Step 0 consisted of 2D benchmark models, gradually increasing the number of processes that are represented from thermal (T) only models in Step 0a, to coupled thermal hydraulic (TH) models in Step 0b with a representation of changing porosity, to coupled thermo-hydro-mechanical (THM) models in Step 0c, where porosity changes are calculated by the mechanical model. A detailed specification of processes, parameters, initial and boundary conditions was provided for this step, with the ambition that all teams would work towards close agreement in their model results, thus building confidence in the model implementations. vi It was not straightforward to achieve agreement between the teams, so additional steps (Step 0b2, 0b3, 0c2, 0c3) were added along with derivation of some analytical solutions against which the models could be compared. The reasons for the differences between teams were investigated and found to be caused primarily by different conceptual model assumptions (including temperature dependence of the thermal expansion of water), different model formulations (including porosity evolution) and differences in modelled domain sizes, boundary conditions and grid discretisation. This demonstrates that comparisons between multiple modelling teams and/or comparison with analytical results and experimental data are highly beneficial in providing an indication of uncertainty in model predictions. At the conclusion of Step 0, almost all teams had achieved a close agreement in model results and those that had not achieved an agreement knew the reason for this. Step 1 moved from 2D models to 3D models of the FE experiment without adding technical features like shotcrete or EDZ, and only considering the heating phase. Initially the 3D model was tightly specified to continue to build confidence in the model implementations (Step 1a). The results of Step 1a were compared to the data from the FE-experiment without the teams seeing the data. The teams were then provided with a sub-set of the data from the FE-experiment and invited to consider how best to use the large dataset for model comparison (Step 1b). Teams were then asked to use the data provided to calibrate their models, only changing material property values rather than adding features or processes to their models (Step 1c). In Step 1, teams were asked to only model the heating phase of the experiment, so pressure in the Opalinus Clay was reported as change in pressure since the initial conditions were specified rather than modelled. The change from 2D to 3D models was accompanied by an increase in the dispersion of results between the teams. Some of this was resolved during the task, but some remained and is potentially due to model discretisation. Calibration of parameters was useful in improving the fit of the models to the data but the remaining differences indicated that the models were missing features or processes. In Step 2, the teams were asked to update their models with additional features and processes as well as calibrating parameters to try and improve the fit of the models to the data. Teams were encouraged to represent ventilation of the open FE tunnel prior to backfilling with heaters and bentonite and in Step 2, the absolute pressure in the Opalinus Clay was compared between the teams. Teams took different approaches, but there was consideration of adding shotcrete and an EDZ into the model, representing stress change during excavation and different approaches to modelling ventilation of the FE tunnel. Overall, the documented results showed a very good agreement for temperature. The results for porewater pressure evolution showed a significant improvement for most teams compared to Step 1c with a good agreement to the measurements for several teams whereas some teams overpredicted the pressure increase and others overpredicted the drainage effect especially for the sensors close to the heater. Step 3 was an opportunity for teams to use the models developed in Step 1 and Step 2 to make predictions about the temperature and pressure changes that will be expected at the FE experiment over the next few years in light of the planned changes in thermal output of the heaters.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Can CMB data constrain the inflationary field range?
We study to what extent the spectral index n{sub s} and the tensor-to-scalar ratio r determine the field excursion Δφ during inflation. We analyse the possible degeneracy of Δ φ by comparing three broad classes of inflationary models, with different dependence on the number of e-foldings N, to benchmark models of chaotic inflation with monomial potentials. The classes discussed cover a large set of inflationary single field models. We find that the field range is not uniquely determined for any value of (n{sub s}, r); one can have the same predictions as chaotic inflation and a very different Δ φ. Intriguingly, we find that the field range cannot exceed an upper bound that appears in different classes of models. Finally, Δ φ can even become sub-Planckian, but this requires to go beyond the single-field slow-roll paradigm.
97 MATHEMATICS AND COMPUTING↗
Search for dark matter produced in association with a Standard Model Higgs boson decaying into b -quarks using the full Run 2 dataset from the ATLAS detector
The production of dark matter in association with Higgs bosons is predicted in several extensions of the Standard Model. An exploration of such scenarios is presented, considering final states with missing transverse momentum and b-tagged jets consistent with a Higgs boson. The analysis uses proton-proton collision data at a centre-of-mass energy of 13 TeV recorded by the ATLAS experiment at the LHC during Run 2, amounting to an integrated luminosity of 139 fb -1 . The analysis, when compared with previous searches, benefits from a larger dataset, but also has further improvements providing sensitivity to a wider spectrum of signal scenarios. These improvements include both an optimised event selection and advances in the object identification, such as the use of the likelihood-based significance of the missing transverse momentum and variable-radius track-jets. No significant deviation from Standard Model expectations is observed. Limits are set, at 95% confidence level, in two benchmark models with two Higgs doublets extended by either a heavy vector boson Z' or a pseudoscalar singlet a and which both provide a dark matter candidate χ. In the case of the two-Higgs-doublet model with an additional vector boson Z', the observed limits extend up to a Z' mass of 3 TeV for a mass of 100 GeV for the dark matter candidate. The two-Higgs-doublet model with a dark matter particle mass of 10 GeV and an additional pseudoscalar a is excluded for masses of the a up to 520 GeV and 240 GeV for tan β = 1 and tan β = 10 respectively. Limits on the visible cross-sections are set and range from to 0.05 fb to 3.26 fb, depending on the missing transverse momentum and b-quark jet multiplicity requirements.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Search for Beyond the Standard Model physics with anomaly detection in multilepton final states in pp collisions at s=13TeV with the ATLAS detector
A model-agnostic search for Beyond the Standard Model physics is presented, targeting final states with at least four light leptons (electrons or muons). The search regions are separated by event topology and unsupervised machine learning is used to identify anomalous events in the full 140 fb-1$$^{-1}$$ of proton–proton collision data collected with the ATLAS detector during Run 2. No significant excess above the Standard Model background expectation is observed. Model-agnostic limits are presented in each topology, along with limits on several benchmark models including vector-like leptons, wino-like charginos and neutralinos, or smuons. Limits are set on the flavourful vector-like lepton model for the first time.
Aad, G↗
Reducing Uncertainties in Model Predictions via History Matching of CO 2 Migration and Reactive Transport Modeling of CO 2 Fate at the Sleipner Project
An important question for the Carbon Capture, Storage, and Utility program is “can we adequately predict the CO 2 plume migration?” For tracking CO 2 plume development, the Sleipner project in the Norwegian North Sea provides more time-lapse seismic monitoring data than any other sites, but significant uncertainties still exist for some of the reservoir parameters. In Part I, we assessed model uncertainties by applying two multi-phase compositional simulators to the Sleipner Benchmark model for the uppermost layer (Layer 9) of the Utsira Sand and calibrated our model against the time-lapsed seismic monitoring data for the site from 1999 to 2010. Approximate match with the observed plume was achieved by introducing lateral permeability anisotropy, adding CH 4 into the CO 2 stream, and adjusting the reservoir temperatures. Model-predicted gas saturation, CO 2 accumulation thickness, and CO 2 solubility in brine—none were used as calibration metrics—were all comparable with the interpretations of the seismic data in the literature.
20 FOSSIL-FUELED POWER PLANTS↗
Subcritical Copper-Reflected-α-phase Plutonium (SCRαP) Integral Experiment Design
A Subcritical Copper-Reflected α-phase Plutonium (SCRαP) integral benchmark experiment is proposed where multiplication will be approximated using correlated neutron data from a detector system consisting of {sup 3}He tubes inside polyethylene. Measurements will be performed on various subcritical experimental configurations consisting of a weapons-grade plutonium sphere surrounded by different Cu thicknesses. In addition to the proposed base experimental configurations with Cu, additional configurations are planned with the plutonium ball nested in various thicknesses of interleaved polyethylene spherical shells mixed in with the Cu shells. The polyethylene is intended to provide fast neutron moderation and reflection, resulting in additional measurements with differing multiplication, spectra, and nuclear data sensitivity. The proposed experiments will performed at the National Criticality Experiments Research Center (NCERC). NCERC is home to a 4.5-kg α-phase stainless steel clad plutonium sphere that is referred to as the BeRP (Beryllium-Reflected Plutonium) ball due to its historical use in a beryllium-reflected critical experiment. In 2014, similar subcritical measurements were performed with the BeRP ball surrounded by nickel and tungsten. The nickel-reflected measurements were documented as a benchmark evaluation which was accepted by the International Criticality Safety Benchmark Evaluation Project (ICSBEP). Similar to past measurements, the proposed work will help both identify deficiencies and quantify uncertainties in nuclear data and validate computational methods related to neutron multiplication inference for subcritical benchmark evaluations. Monte Carlo simulations were performed for the preliminary design of a subcritical Copper-Reflected - phase Plutonium (SCRP) integral benchmark experiment. Specifically, MCNP{sup R} version 6 was used to determine the k{sub eff} and associated nuclear data sensitivities for different preliminary configurations (reflector thickness, material type). The final experimental design process will include continuous-energy nuclear data sensitivity analysis. This will help assess the potential impact of this integral measurement as it relates to international efforts to continuously improve current libraries (ENDF, JEFF, JENDL etc) that still tend to over/under-estimate the measured results of integral experiments, sometimes significantly. Deficiencies in underlying nuclear data quantities such as Nubar have been shown to have an effect on inferred values from subcritical measurements as well. The proposed experiments and subsequent computational validation will help identify such deficiencies. It will also help validate new nuclear data evaluations, including one for Cu that was recently performed in the resolved region up to 100 MeV for {sup 65}Cu and {sup 63}Cu which is expected to improve Cu-related benchmark simulation performance. The final experimental design phase will also include simulation results that will incorporate the detectors that will be used for the subcritical measurements. For the benchmark portion of the measurements, the main detectors that are being considered are portable neutron multiplicity counters made up of {sup 3}He tubes embedded in polyethylene and lined with cadmium. These detectors employ a data acquisition system that produces list-mode data (correlated information where each event is listed sequentially) that can be analyzed using the Feynman variance-to-mean method. Other detector systems including SNAP (single {sup 3}He tube embedded in polyethylene), and a high-purity germanium (HPGe) detector are being considered for supplementary measurements only and are not intended to be used for the final benchmark measurements. Decoupling the supplementary detectors from the system eliminates any contribution to the total system multiplication, and greatly simplifies the final computational benchmark model. Therefore, an optimization of the portable neutron multiplicity counter placement in the benchmark measurements will be performed to ensure that there is minimal contribution to the total system multiplication. In addition, new temperature measurement techniques and hardware will be explored. (authors)
42 ENGINEERING↗
Search for resonant WZ production in the WZ to lvl l channel in root(s)=7 TeV pp collisions with the ATLAS detector
A generic search is presented for a heavy particle decaying to WZ {yields} lvl{prime}l{prime} (l, l{prime} = e, {mu}) final states. The data were recorded by the ATLAS detector in {radical}s = 7 TeV pp collisions at the Large Hadron Collider and correspond to an integrated luminosity of 1.02 fb{sup -1}. The transverse mass distribution of the selected WZ candidates is found to be consistent with the standard model expectation. Upper limits on the production cross section times branching ratio are derived using two benchmark models predicting a heavy particle decaying to a WZ pair.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Combination of searches for singly produced vectorlike top quarks in 𝑝𝑝 collisions at $\sqrt{𝑠}$ =13 TeV with the ATLAS detector
A combination of searches for the single production of vectorlike top quarks (𝑇) is presented. These analyses are based on proton-proton collisions at $\sqrt{𝑠}$ = 13 TeV recorded in 2015–2018 with the ATLAS detector at the Large Hadron Collider, corresponding to an integrated luminosity of 139 fb −1 . The 𝑇 decay modes considered in this combination are into a top quark and either a Standard Model Higgs boson or a 𝑍 boson (𝑇 → 𝐻𝑡 and 𝑇 → 𝑍𝑡). The individual searches used in the combination are differentiated by the number of leptons (𝑒, 𝜇) in the final state. The observed data are found to be in good agreement with the Standard Model background prediction. Interpretations are provided for a range of masses and couplings of the vectorlike top quark for benchmark models and generalized representations in terms of 95% confidence level limits. For a benchmark signal prediction of a vectorlike top quark SU(2) singlet with electroweak coupling, 𝜅, of 0.5, masses below 2.1 TeV are excluded, resulting in the most restrictive limits to date.
Composite models↗
Variability in the sensitivity among model simulations of permafrost and carbon dynamics in the permafrost region between 1960 and 2009
A significant portion of the large amount of carbon (C) currently stored in soils of the permafrost region in the Northern Hemisphere has the potential to be emitted as the greenhouse gases CO 2 and CH 4 under a warmer climate. In this study we evaluated the variability in the sensitivity of permafrost and C in recent decades among land surface model simulations over the permafrost region between 1960 and 2009. The 15 model simulations all predict a loss of near-surface permafrost (within 3 m) area over the region, but there are large differences in the magnitude of the simulated rates of loss among the models (0.2 to 58.8 × 10 3 km 2 yr –1 ). Sensitivity simulations indicated that changes in air temperature largely explained changes in permafrost area, although interactions among changes in other environmental variables also played a role. All of the models indicate that both vegetation and soil C storage together have increased by 156 to 954 Tg C yr –1 between 1960 and 2009 over the permafrost region even though model analyses indicate that warming alone would decrease soil C storage. Increases in gross primary production (GPP) largely explain the simulated increases in vegetation and soil C. The sensitivity of GPP to increases in atmospheric CO 2 was the dominant cause of increases in GPP across the models, but comparison of simulated GPP trends across the 1982–2009 period with that of a global GPP data set indicates that all of the models overestimate the trend in GPP. Disturbance also appears to be an important factor affecting C storage, as models that consider disturbance had lower increases in C storage than models that did not consider disturbance. Furthermore, to improve the modeling of C in the permafrost region, there is the need for the modeling community to standardize structural representation of permafrost and carbon dynamics among models that are used to evaluate the permafrost C feedback and for the modeling and observational communities to jointly develop data sets and methodologies to more effectively benchmark models.
58 GEOSCIENCES↗
A physics-informed multi-agents model to predict thermo-oxidative/hydrolytic aging of elastomers
This paper introduces a novel physics-informed multi-agents constitutive model to propose prediction in quasi-static constitutive behavior of cross-linked elastomer and the loss of mechanical performance during environmental aging. The presented model is used to simulate the effect of single-mechanism chemical aging (i.e. thermal-inducedor hydrolytic aging) on the behavior of the material in this hybrid framework. Those environmental single-mechanism damages change the polymer matrix over time due to massive chain scission, chain formations, and changing the arrangement of molecules in the polymer matrix. Here we propose a data-driven super-constrained machine-learned engine to represent damage in the polymer matrix and capture the changes in material behavior, including its inelastic features such as Mullins effect and permanent set in the course of aging. We have simplified the 3D stress–strain tensor mapping problem into a small number of super-constrained 1D mapping problems by means of a sequential order reduction. An assembly of multiple replicated conditional neural-network learning-agents (L-agents) is trained to systematically simplify the high-dimensional mapping problem into multiple 1D problems, each represented by a different type of agent. Our hybrid framework is designed to capture the effect of deformation history, aging time, and aging temperature. The model is validated with respect to a comprehensive set of experiments specifically designed to benchmark model capabilities and also against available data in the literature. Thermodynamic consistency and frame independency have been verified. Besides acceptable predictive abilities, a significant reduction of computational cost to predict behavior at multiple states of deformation is the most significant feature of this model.
42 ENGINEERING↗
Automatic information extraction from neutron radiography imaging to estimate axial fuel expansion in $\mathrm{EBR-II}$
Approximately 130,000 metal fuel pins were irradiated in the Experimental Breeder Reactor II (EBR-II) during its 30 years of operation to develop and characterize existing and prospective fuels. For many of the metal fuel irradiation experiments, neutron radiography imaging was performed to characterize fuel behavior, like fuel swelling. However, due to the lack of technology or resources, many of the images have not been processed or were processed manually through visual examination. This paper represents first-attempt to develop an image processing algorithm capable of automatically extracting information regarding the degree of fuel swelling from neutron radiography imaging. The algorithm was applied to 120 images of three different metallic fuel pin compositions—U-10Zr, U-8Pu-10Zr, and U-19Pu-10Zr. The algorithm performs operations of image intensity adjustment, image binarization, region finding, and labeling to extract information about fuel swelling. The average growth for U-10Zr was found to be 8.49% with 95% Confidence Interval (CI) [8.33 –8.66%], for U-8Pu-10Zr — 7.50% with 95% CI [7.23 – 7.78%], and for U-19Pu-10Zr — 3.15%, with 95% CI [2.40 – 3.91%]. The results obtained by applying this automatic image processing algorithm are consistent with previously reported studies of the same types of fuels. The automatic image processing algorithm will be expanded to include thousands of available neutron radiography images and different types of fuels to investigate empirical dependencies of fuel swelling, which can be subsequently applied to advanced fuel modeling. Results from this study can later be compared to BISON simulations to further benchmark modeling efforts and develop assessment cases.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Search for resonances decaying to top and bottom quarks with the CDF experiment
We report on a search for charged massive resonances decaying to top (t) and bottom (b) quarks in the full data set of proton-antiproton collisions at a center-of-mass energy of √s = 1.96 TeV collected by the CDF II detector at the Tevatron, corresponding to an integrated luminosity of 9.5 fb –1 . No significant excess above the standard model background prediction is observed. We set 95% Bayesian credibility mass-dependent upper limits on the heavy charged-particle production cross section times branching ratio to tb. Using a standard model extension with a W' → tb and left-right-symmetric couplings as a benchmark model, we constrain the W' mass and couplings in the 300–900 GeV/c 2 range. As a result, the limits presented here are the most stringent for a charged resonance with mass in the range 300–600 GeV/c 2 decaying to top and bottom quarks.
Aaltonen, Timo Antero↗
SARS-CoV2 Docking MLMol Benchmark Dataset
Processing a subset of the molecules dataset, described here: https://doi.ccs.ornl.gov/ui/doi/348 to be used for a Language Model Benchmark.
Tsaris, Aristeidis↗
Results Oriented Benchmarking: The Evolution of Benchmarking at NASA from Competitive Comparisons to World Class Space Partnerships
Informal benchmarking using personal or professional networks has taken place for many years at the Kennedy Space Center (KSC). The National Aeronautics and Space Administration (NASA) recognized early on, the need to formalize the benchmarking process for better utilization of resources and improved benchmarking performance. The need to compete in a faster, better, cheaper environment has been the catalyst for formalizing these efforts. A pioneering benchmarking consortium was chartered at KSC in January 1994. The consortium known as the Kennedy Benchmarking Clearinghouse (KBC), is a collaborative effort of NASA and all major KSC contractors. The charter of this consortium is to facilitate effective benchmarking, and leverage the resulting quality improvements across KSC. The KBC acts as a resource with experienced facilitators and a proven process. One of the initial actions of the KBC was to develop a holistic methodology for Center-wide benchmarking. This approach to Benchmarking integrates the best features of proven benchmarking models (i.e., Camp, Spendolini, Watson, and Balm). This cost-effective alternative to conventional Benchmarking approaches has provided a foundation for consistent benchmarking at KSC through the development of common terminology, tools, and techniques. Through these efforts a foundation and infrastructure has been built which allows short duration benchmarking studies yielding results gleaned from world class partners that can be readily implemented. The KBC has been recognized with the Silver Medal Award (in the applied research category) from the International Benchmarking Clearinghouse.
Bell, Michael A.↗
Evaluation of Plutonium Hemisphere Critical Experiments Partially Reflected by Steel and Oil
A series of 15 critical experiments performed at the Rocky Flats Critical Mass Laboratory in the late 1960s were evaluated and then determined to represent acceptable benchmark experiments for the validation of calculational methods. This series of experiments was part of a larger set of experiments performed to evaluate operational safety margins at the Rocky Flats Plant. The experiments consisted of bare plutonium metal hemishells reflected by steel hemishells of increasing thickness and motor oil. The hemishell assembly was suspended within dual aluminum tanks. Criticality was achieved by pumping oil into the tanks such that effectively infinite reflection was achieved in all directions except directly above the assembly; then the critical oil height was recorded. The results of these experiments had been initially ignored because early computational methods had been inadequate to analyze partially-reflected configurations. The dominant uncertainties include the uncertainty in the average plutonium density and the composition of materials in the gaps between the plutonium hemishells. Simple and detailed benchmark models were developed. Eigenvalue calculations using MCNP5 and ENDF/B-VII.0 were within 2s of the benchmark values. This benchmark evaluation has been added to the ICSBEP Handbook.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Search for anomalous production of multiple leptons in association with $W$ and $Z$ bosons at CDF
This paper presents a search for anomalous production of multiple low-energy leptons in association with a W or Z boson using events collected at the CDF experiment corresponding to 5.1 fb{sup -1} of integrated luminosity. This search is sensitive to a wide range of topologies with low-momentum leptons, including those with the leptons near one another. The observed rates of production of additional electrons and muons are compared with the standard model predictions. No indications of phenomena beyond the standard model are found. A 95% confidence level limit is presented on the production cross section for a benchmark model of supersymmetric hidden-valley Higgs production. Particle identification efficiencies are also provided to enable the calculation of limits on additional models.
43 PARTICLE ACCELERATORS↗
Where the Sidewalk Ends: Jets and Missing Energy Search Strategies for the 7 TeV LHC
This work explores the potential reach of the 7 TeV LHC to new colored states in the context of simplified models and addresses the issue of which search regions are necessary to cover an extensive set of event topologies and kinematic regimes. This article demonstrates that if searches are designed to focus on specific regions of phase space, then new physics may be missed if it lies in unexpected corners. Simple multiregion search strategies can be designed to cover all of kinematic possibilities. A set of benchmark models are created that cover the qualitatively different signatures and a benchmark multiregion search strategy is presented that covers these models.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗