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At least 505 records · Page 28

Simulating Z 2 lattice gauge theory on a quantum computer

The utility of quantum computers for simulating lattice gauge theories is currently limited by the noisiness of the physical hardware. Various quantum error mitigation strategies exist to reduce the statistical and systematic uncertainties in quantum simulations via improved algorithms and analysis strategies. We perform quantum simulations of Z 2 gauge theory with matter to study the efficacy and interplay of different error mitigation methods: readout error mitigation, randomized compiling, rescaling, and dynamical decoupling. We compute Minkowski correlation functions in this confining gauge theory and extract the mass of the lightest spin-1 state from fits to their time dependence. Quantum error mitigation extends the range of times over which our correlation function calculations are accurate by a factor of 6 and is therefore essential for obtaining reliable masses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predicting lake surface water phosphorus dynamics using process-guided machine learning

Phosphorus (P) loading to lakes is degrading the quality and usability of water globally. Accurate predictions of lake P dynamics are needed to understand whole-ecosystem P budgets, as well as the consequences of changing lake P concentrations for water quality. However, complex biophysical processes within lakes, along with limited observational data, challenge our capacity to reproduce short-term lake dynamics needed for water quality predictions, as well as long-term dynamics needed to understand broad scale controls over lake P. Here we use an emerging paradigm in modeling, process-guided machine learning (PGML), to produce a phosphorus budget for Lake Mendota (Wisconsin, USA) and to accurately predict epilimnetic phosphorus over a time range of days to decades. In our implementation of PGML, which we term a Process-Guided Recurrent Neural Network (PGRNN), we combine a process-based model for lake P with a recurrent neural network, and then constrain the predictions with ecological principles. We test independently the process-based model, the recurrent neural network, and the PGRNN to evaluate the overall approach. The process-based model accounted for most of the observed pattern in lake P; however it missed the long-term trend in lake P and had the worst performance in predicting winter and summer P in surface waters. The root mean square error (RMSE) for the process-based model, the recurrent neural network, and the PGRNN was 33.0 μg P L -1 , 22.7 μg P L -1 , and 20.7 μg P L -1 , respectively. All models performed better during summer, with RMSE values for the three models (same order) equal to 14.3 μg P L -1 , 10.9 μg P L -1 , and 10.7 μg P L -1 . Although the PGRNN had only marginally better RMSE during summer, it had lower bias and reproduced long-term decreases in lake P missed by the other two models. For all seasons and all years, the recurrent neural network had better predictions than process alone, with root mean square error (RMSE) of 23.8 μg P L -1 and 28.0 μg P L -1 , respectively. The output of PGRNN indicated that new processes related to water temperature, thermal stratification, and long term changes in external loads are needed to improve the process model. By using ecological knowledge, as well as the information content of complex data, PGML shows promise as a technique for accurate prediction in messy, real-world ecological dynamics, while providing valuable information that can improve our understanding of process.

54 ENVIRONMENTAL SCIENCES↗

Dual-rail encoding with superconducting cavities

The design of quantum hardware that reduces and mitigates errors is essential for practical quantum error correction (QEC) and useful quantum computation. To this end, we introduce the circuit-Quantum Electrodynamics (QED) dual-rail qubit in which our physical qubit is encoded in the single-photon subspace, { | 01 〉 , | 10 〉 } , of two superconducting microwave cavities. The dominant photon loss errors can be detected and converted into erasure errors, which are in general much easier to correct. In contrast to linear optics, a circuit-QED implementation of the dual-rail code offers unique capabilities. Using just one additional transmon ancilla per dual-rail qubit, we describe how to perform a gate-based set of universal operations that includes state preparation, logical readout, and parametrizable single and two-qubit gates. Moreover, first-order hardware errors in the cavities and the transmon can be detected and converted to erasure errors in all operations, leaving background Pauli errors that are orders of magnitude smaller. Hence, the dual-rail cavity qubit exhibits a favorable hierarchy of error rates and is expected to perform well below the relevant QEC thresholds with today’s coherence times.

97 MATHEMATICS AND COMPUTING↗

NSFnets (Navier-Stokes flow nets): Physics-informed neural networks for the incompressible Navier-Stokes equations

In the last 50 years there has been a tremendous progress in solving numerically the Navier-Stokes equations using finite differences, finite elements, spectral, and even meshless methods. Yet, in many real cases, we still cannot incorporate seamlessly (multi-fidelity) data into existing algorithms, and for industrial-complexity applications the mesh generation is time consuming and still an art. Moreover, solving ill-posed problems (e.g., lacking boundary conditions) or inverse problems is often prohibitively expensive and requires different formulations and new computer codes. Here, we employ physics-informed neural networks (PINNs), encoding the governing equations directly into the deep neural network via automatic differentiation, to overcome some of the aforementioned limitations for simulating incompressible laminar and turbulent flows. We develop the Navier-Stokes flow nets (NSFnets) by considering two different mathematical formulations of the Navier-Stokes equations: the velocity-pressure (VP) formulation and the vorticity-velocity (VV) formulation. Since this is a new approach, we first select some standard benchmark problems to assess the accuracy, convergence rate, computational cost and flexibility of NSFnets; analytical solutions and direct numerical simulation (DNS) databases provide proper initial and boundary conditions for the NSFnet simulations. The spatial and temporal coordinates are the inputs of the NSFnets, while the instantaneous velocity and pressure fields are the outputs for the VP-NSFnet, and the instantaneous velocity and vorticity fields are the outputs for the VV-NSFnet. This is unsupervised learning and, hence, no labeled data are required beyond boundary and initial conditions and the fluid properties. The residuals of the VP or VV governing equations, together with the initial and boundary conditions, are embedded into the loss function of the NSFnets. No data is provided for the pressure to the VP-NSFnet, which is a hidden state and is obtained via the incompressibility constraint without extra computational cost. Unlike the traditional numerical methods, NSFnets inherit the properties of neural networks (NNs), hence the total error is composed of the approximation, the optimization, and the generalization errors. Here, we empirically attempt to quantify these errors by varying the sampling (“residual”) points, the iterative solvers, and the size of the NN architecture. For the laminar flow solutions, we show that both the VP and the VV formulations are comparable in accuracy but their best performance corresponds to different NN architectures. The initial convergence rate is fast but the error eventually saturates to a plateau due to the dominance of the optimization error. For the turbulent channel flow, we show that NSFnets can sustain turbulence at , but due to expensive training we only consider part of the channel domain and enforce velocity boundary conditions on the subdomain boundaries provided by the DNS data base. We also perform a systematic study on the weights used in the loss function for balancing the data and physics components, and investigate a new way of computing the weights dynamically to accelerate training and enhance accuracy. In the last part, we demonstrate how NSFnets should be used in practice, namely for ill-posed problems with incomplete or noisy boundary conditions as well as for inverse problems. We obtain reasonably accurate solutions for such cases as well without the need to change the NSFnets and at the same computational cost as in the forward well-posed problems. As a result, we also present a simple example of transfer learning that will aid in accelerating the training of NSFnets for different parameter settings.

97 MATHEMATICS AND COMPUTING↗

Performance evaluations of signed and unsigned noisy approximate quantum Fourier arithmetic

The Quantum Fourier Transform (QFT) grants competitive advantages, especially in resource usage and circuit approximation, for performing arithmetic operations on quantum computers, and offers a potential route toward a numerical quantum-computational paradigm. In this paper, we utilize efficient techniques to implement QFT-based integer addition and multiplications. These operations are fundamental to various quantum applications including Shor’s algorithm, weighted-sum optimization problems in data processing and machine learning, and quantum algorithms requiring inner products. We carry out performance evaluations of these implementations based on IBM’s superconducting-qubit architecture using different compatible noise models. We isolate the sensitivity of the component quantum circuits on both one-/two-qubit gate error rates, and the number of the arithmetic operands’ superposed integer states. We analyze performance and identify the most effective approximation depths for unsigned quantum addition and quantum multiplication within the given context. We then perform a similar analysis of signed addition and compare to the unsigned results. We observe significant dependency of the optimal approximation depth on the degree of machine noise and the number of superposed states in certain performance regimes. Finally, we elaborate on the algorithmic challenges—relevant to signed, unsigned, modular and non-modular versions—that could also be applied to current implementations of QFT-based subtraction, division, exponentiation, and their potential tensor extensions. Here, we analyze the performance trends in our results and speculate on possible future developments within this computational paradigm.

Computational models↗

Studying Wind Loading on CSP Collectors to Improve Performance and Reliability

Electricity generation through Concentrating Solar-thermal Power (CSP) adds the advantage of thermal energy storage and heat production. CSP collector costs constitute nearly one-third of total plant costs. Managing wind loading, especially dynamic wind loading caused by the turbulent wind flow, is a significant design challenge. Traditional collector designs rely on wind tunnel experiments and numerical simulations, which do not fully capture dynamic effects. Here, we provide an overview of NREL's activities on wind loading on CSP collectors, aiming to improve their reliability and cost-efficiency. We present insights from field measurements at operational parabolic trough and power-tower CSP plants. Over two years, we measured turbulent wind fields and resulting structural loads in a parabolic trough plant, revealing wind, turbulence, and collector field interactions. Similar measurements are ongoing at the Crescent Dunes heliostat field. These campaigns show how atmospheric turbulence, wind direction, and collector orientation affect dynamic wind loading. Upwind collector structures can generate turbulent structures, causing fluctuating loads at downstream collectors, impacting fatigue lifetime and optical efficiency. Preliminary results indicate that interior collectors experience higher turning moments than those at the edges, suggesting higher drive wear. At Crescent Dunes, we use instrumented heliostats at the field's edge and interior to study the translation of turbulent wind to dynamic structural loads. The campaign is still ongoing, and we will present first findings. Another focus of our work is tying the experimental wind loading findings to optical performance of the collectors, using simulation tools. For example, we derive torsional errors of the parabolic troughs - the angular offset from the sun position along a collector row. This error is impacted by wind-induced mirror deformations. Future work will focus on continuing the measurement efforts and combining them with computational fluid dynamic simulations. By providing detailed field measurements and validated models, our efforts aim to enhance understanding of wind loading on CSP collectors, improving their structural integrity and optical performance.

CSP↗

An Experiment-based Distribution Level Performance Comparison among PMUs

This paper presents a experiment-based distribution level performance comparison among three Phasor Measurement Units (PMUs). Several evaluation criteria, including the total vector error, the phase angle error, the frequency error, the rate of change of frequency, the response time, the settling time, the overshoot, and the algorithm window size, are selected to compare the static and dynamic performances of the PMUs under steady state and step response test conditions. In order to have a more realistic test environment, a test is setup in which PMUs under evaluation have exactly the same input signals. The quantitative experiment result analysis gives an end-user guideline to the PMU selection regarding distribution level applications.

Yin, He↗

Assessment of the ParFlow–CLM CONUS 1.0 integrated hydrologic model: evaluation of hyper-resolution water balance components across the contiguous United States

Abstract. Recent advancements in computational efficiency and Earth system modeling have awarded hydrologists with increasingly high-resolution models of terrestrial hydrology, which are paramount to understanding and predicting complex fluxes of moisture and energy. Continental-scale hydrologic simulations are, in particular, of interest to the hydrologic community for numerous societal, scientific, and operational benefits. The coupled hydrology–land surface model ParFlow–CLM configured over the continental United States (PFCONUS) has been employed in previous literature to study scale-dependent connections between water table depth, topography, recharge, and evapotranspiration, as well as to explore impacts of anthropogenic aquifer depletion to the water and energy balance. These studies have allowed for an unprecedented process-based understanding of the continental water cycle at high resolution. Here, we provide the most comprehensive evaluation of PFCONUS version 1.0 (PFCONUSv1) performance to date by comparing numerous modeled water balance components with thousands of in situ observations and several remote sensing products and using a range of statistical performance metrics for evaluation. PFCONUSv1 comparisons with these datasets are a promising indicator of model fidelity and ability to reproduce the continental-scale water balance at high resolution. Areas for improvement are identified, such as a positive streamflow bias at gauges in the eastern Great Plains, a shallow water table bias over many areas of the model domain, and low bias in seasonal total water storage amplitude, especially for the Ohio, Missouri, and Arkansas River basins. We discuss several potential sources for model bias and suggest that minimizing error in topographic processing and meteorological forcing would considerably improve model performance. Results here provide a benchmark and guidance for further PFCONUS model development, and they highlight the importance of concurrently evaluating all hydrologic components and fluxes to provide a multivariate, holistic validation of the complete modeled water balance.

O'Neill, Mary M. F. (ORCID:0000000221455165)↗

Merger identification through photometric bands, colours, and their errors

Aims. We present the application of a fully connected neural network (NN) for galaxy merger identification using exclusively photometric information. Our purpose is not only to test the method’s efficiency, but also to understand what merger properties the NN can learn and what their physical interpretation is. Methods. We created a class-balanced training dataset of 5860 galaxies split into mergers and non-mergers. The galaxy observations came from SDSS DR6 and were visually identified in Galaxy Zoo. The 2930 mergers were selected from known SDSS mergers and the respective non-mergers were the closest match in both redshift and r magnitude. The NN architecture was built by testing a different number of layers with different sizes and variations of the dropout rate. We compared input spaces constructed using: the five SDSS filters: u, g, r, i, and z; combinations of bands, colours, and their errors; six magnitude types; and variations of input normalization. Results. We find that the fibre magnitude errors contribute the most to the training accuracy. Studying the parameters from which they are calculated, we show that the input space built from the sky error background in the five SDSS bands alone leads to 92.64 ± 0.15% training accuracy. We also find that the input normalization, that is to say, how the data are presented to the NN, has a significant effect on the training performance. Conclusions. We conclude that, from all the SDSS photometric information, the sky error background is the most sensitive to merging processes. This finding is supported by an analysis of its five-band feature space by means of data visualization. Moreover, studying the plane of the g and r sky error bands shows that a decision boundary line is enough to achieve an accuracy of 91.59%.

79 ASTRONOMY AND ASTROPHYSICS↗

Massively parallel axisymmetric fluid model for streamer discharges

A highly parallelizable fluid plasma simulation tool based upon the first-order drift-diffusion equations is discussed. Atmospheric pressure plasmas have densities and gradients that require small element sizes in order to accurately simulate the plasm resulting in computational meshes on the order of millions to tens of millions of elements for realistic size plasma reactors. To enable simulations of this nature, parallel computing is required and must be optimized for the particular problem. Here, a finite-volume, electrostatic drift-diffusion implementation for low-temperature plasma is discussed. The implementation is built upon the Message Passing Interface (MPI) library in C++ using Object Oriented Programming. The underlying numerical method is outlined in detail and benchmarked against simple streamer formation from other streamer codes. Electron densities, electric field, and propagation speeds are compared with the reference case and show good agreement. Convergence studies are also performed showing a minimal space step of approximately 4 μm required to reduce relative error to below 1% during early streamer simulation times and even finer space steps are required for longer times. Additionally, strong and weak scaling of the implementation are studied and demonstrate the excellent performance behavior of the implementation up to 100 million elements on 1024 processors. Lastly, different advection schemes are compared for the simple streamer problem to analyze the influence of numerical diffusion on the resulting quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quantitative assessment of eddy viscosity rans models for turbulent mixed convection in a differentially heated plane channel

Turbulent mixed convection between two vertical, infinite parallel plates at different temperatures is studied using various two-equation turbulence models. The numerical simulations are performed at a turbulent Reynolds number of Re τ = 150 and a Grashof number of Gr = 9.6 × 10 5 . Comparisons are made against the highly trusted DNS results. Consistent with the DNS approach, the current simulations are performed using constant properties and the Boussinesq approximation to predict the influence of buoyancy. Previous studies have provided assessments of two-equation turbulence models for various scenarios, but often rely on a qualitative “eye” test in order to determine the most appropriate model to predict a given flow. This study aims to provide a new form of quantitative assessment that accounts for both the physics captured by the turbulence model as well as the magnitude of the system response quantities (SRQ) using a modified symmetric mean absolute percent error (SMAPE) method. This method is designed to be approachable to researchers at any level and can be applied to system response quantities from multiple research fields. Uncertainty quantification is also performed to determine the discretization error for each turbulence model. Recommendations are made as to which turbulence models best capture the physics – hydrodynamically and thermally – using both local and global validation metrics. Lastly, a sensitivity analysis is performed on the damping functions used in the most accurate models. This underpins the potential of model developments and adjustments most worth pursuing for buoyant flows. Finally, this framework provides a more physics-based comparative analysis of the selected turbulence models.

42 ENGINEERING↗

Quantum computing hardware for HEP algorithms and sensing

Quantum information science harnesses the principles of quantum mechanics to realize computational algorithms with complexities vastly intractable by current computer platforms. Typical applications range from quantum chemistry to optimization problems and also include simulations for high energy physics. The recent maturing of quantum hardware has triggered preliminary explorations by several institutions (including Fermilab) of quantum hardware capable of demonstrating quantum advantage in multiple domains, from quantum computing to communications, to sensing. The Superconducting Quantum Materials and Systems (SQMS) Center, led by Fermilab, is dedicated to providing breakthroughs in quantum computing and sensing, mediating quantum engineering and HEP based material science. The main goal of the Center is to deploy quantum systems with superior performance tailored to the algorithms used in high energy physics. In this Snowmass paper, we discuss the two most promising superconducting quantum architectures for HEP algorithms, i.e. three-level systems (qutrits) supported by transmon devices coupled to planar devices and multi-level systems (qudits with arbitrary N energy levels) supported by superconducting 3D cavities. For each architecture, we demonstrate exemplary HEP algorithms and identify the current challenges, ongoing work and future opportunities. Furthermore, we discuss the prospects and complexities of interconnecting the different architectures and individual computational nodes. Finally, we review several different strategies of error protection and correction and discuss their potential to improve the performance of the two architectures. This whitepaper seeks to reach out to the HEP community and drive progress in both HEP research and QIS hardware.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

UAS Edge Computing of Energy Infrastructure Damage Assessment

Energy infrastructure assessments are needed within 72 hours of natural disasters, and previous data collection methods have proven too slow. We demonstrate a scalable end-to-end solution using a prototype unmanned aerial system that performs on-the-edge detection, classification (i.e., damaged or undamaged), and geo-location of utility poles. The prototype is suitable for disaster response because it requires no local communication infrastructure and is capable of autonomous missions. Collections before, during, and after Hurricane Ida in 2021 were used to test the system. The system delivered an F1 score of 0.65 operating with a 2.7 s/frame processing speed with the YOLOv5 large model and an F1 score of 0.55 with a 0.48 s/frame with the YOLOv5 small model. Geo-location uncertainty in the bottom half of the frame was ~8 m, mostly driven by error in camera pointing measurement. With additional training data to improve performance and detect additional types of features, a fleet of similar drones could autonomously collect actionable post-disaster data.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The HUNTER Dynamic Human Reliability Analysis Tool: Development of a Module for Performance Shaping Factors

Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) is a framework to support dynamic human reliability analysis (HRA) in communication with a variety of methods and tools. In this paper, how we have developed one of the HUNTER modules, the individual module for evaluating performance shaping factors (PSFs), is introduced. The PSF refers to any factor that influences human performance such as workload or complexity. It has been used for highlighting human errors and adjusting the error probabilities in the existing HRA. We consider the eight PSFs suggested in the Standardized Plant Analysis Risk-HRA (SPAR-H) method, which is the representative HRA method widely used in the nuclear field. To support our dynamic modeling using the eight SPAR-H PSFs, we reviewed human performance literature and developed data-based mathematical models to rate and quantify PSFs in the context of dynamic HRA. We also design the individual module composed of the two functions: 1) the PSF qualification function that automatically or manually evaluates a PSF level, and 2) the PSF quantification function that dynamically or statically determines the PSF multiplier values and integrate them to adjust human error probabilities (HEPs). How each function works with the SPAR-H PSFs and how the PSFs adjust the HEPs are investigated through literature and discussed in this paper.

99 GENERAL AND MISCELLANEOUS↗

Spherically expanding flame in silane–hydrogen–nitrous oxide–argon mixtures

The effect of silane addition on the laminar flame speed ($S^0_u$) of flames propagating in hydrogen–nitrous oxide–argon mixtures has been investigated experimentally for the first time using the spherically expanding flame technique in a constant volume combustion chamber. Replacing hydrogen by silane and maintaining the equivalence ratio constant, much higher flame speeds, explosion peak pressures, and pressure rise coefficients were measured. A previously developed detailed reaction model has been updated based on ab initio thermodynamic properties calculations and collision limit violation analysis. The improved reaction model demonstrates encouraging performance in predicting the flame speed, with a mean absolute error below 11%. To explain the effect of silane addition on the flame dynamics, a number of parameters have been calculated including OH and H rate of production, heat release rate per reaction, and sensitivity coefficient on . The dynamics of freely propagating flames in SiH 4 –H 2 –N 2 O–Ar mixtures is essentially controlled by reactions of the H–O–N chemical system: N 2 O+H=N 2 +OH, OH+H 2 =H 2 O+H, and N 2 O(+M)=N 2 +O(+M). Whereas silane addition does not influence much the rate of production of OH, it significantly modifies that of H with a number of pyrolytic chemical pathways of silicon hydrides, such as SiH+H 2 =SiH 2 +H and Si+H 2 =SiH+H, which act as sink of H atom as they proceed in the backward direction. The reactions forming SiO(s) and SiO 2 (s), such as SiO+OH=SiO 2 (s)+H and 2SiO=2SiO(s), are exothermic and significantly contribute to the temperature increase. The adiabatic, constant pressure flame temperature for mixture containing silane is significantly higher, up to several 100’s K. The increase of induced by silane addition seems to be mostly related to the large increase of the flame temperature which leads to higher energy release rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlating and Simulating Socio-Demographically Driven Residential End-Use Activity Schedules

Incorporating socio-demographic and behavioral considerations into decision-support tools is crucial for identifying gaps and addressing consumer needs to ensure reliable and affordable energy solutions. In energy simulation models, the correlation between socio-demographics and time-use behavior is not well-captured. Thus, we developed a large-scale simulation workflow to generate schedules for 10 residential activities across 24 population segments defined by age, income, and employment status. Using pre-pandemic 2015-2019 American Time Use Survey (ATUS) data, we used ANOVA to confirm the correlation between demographic factors and time use. We explored three k-modes clustering methods-backward, forward, and a new hybrid approach-to delineate the occupancy patterns based on demographics. Using the probability of cluster membership for each population segment and a time inhomogeneous Markov chain to generate activity transition probabilities for each cluster, we simulated 50,000 schedules per segment and validated them against the ATUS data. The hybrid method produced the most socio-demographically differentiated clusters while demonstrating comparable performance to other approaches, with an overall root mean square error of 0.12 for both weekday and weekend schedules. Thus, the hybrid method, where each cluster is dominated by certain demographic segments and occupancy patterns, offers more modeling versatility in terms of scenario analysis. The new workflow improves the socio demographic differentiation of energy consumption by considering differences in time use. This approach enables future research on demographically segmented time of use (TOU) energy consumption, including impacts of TOU utility bills and rate analysis, long-run marginal emissions, and energy retrofits.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Domain-aware Control-oriented Neural Models for Autonomous Underwater Vehicles

Conventional physics-based modeling is a time-consuming bottleneck in control design for complex nonlinear systems like autonomous underwater vehicles (AUVs). In contrast, purely data-driven models, require a large number of observations and lack operational guarantees for safety-critical systems. Data-driven models leveraging available partially characterized dynamics have potential to provide reliable systems models in a typical data-limited scenario for high value complex systems, thereby avoiding months of expensive expert modeling time. In this work we explore this middle-ground between expert-modeled and pure data-driven modeling. We present control-oriented parametric models with varying levels of domain-awareness that exploit known system structure and prior physics knowledge to create constrained deep neural dynamical system models. We employ universal differential equations to construct data-driven blackbox and graybox representations of the AUV dynamics. In addition, we explore a hybrid formulation that explicitly models the residual error related to imperfect graybox models. We compare the prediction performance of the learned models for different distributions of initial conditions and control inputs to assess their suitability for control.

Shaw Cortez, Wenceslao E.↗

Modeling athermal phonons in novel materials using the G4CMP simulation toolkit

Understanding phonon and charge propagation in superconducting devices plays an important role in both performing low-threshold dark matter searches and limiting correlated errors in superconducting qubits. The Geant4 Condensed Matter Physics (G4CMP) package, originally developed for the Cryogenic Dark Matter Search (CDMS) experiment, models charge and phonon transport within silicon and germanium detectors and has been validated by experimental measurements of phonon caustics, mean charge-carrier drift velocities, and heat pulse propagation times. Here, in this work, we present a concise framework for expanding the capabilities for phonon transport to a number of other novel substrate materials of interest to the dark matter and quantum computing communities, including sapphire (Al 2 O 3 ), gallium arsenide (GaAs), lithium fluoride (LiF), calcium tungstate (CaWO 4 ), and calcium fluoride (CaF 2 ). We demonstrate the use of this framework in generating phonon transport properties of these materials and compare these properties with experimentally-determined values where available.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗