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Quantum Physics without the Physics

This report explains the basic theory and common terminology of quantum physics without assuming any knowledge of physics. It was written by a group of applied mathematicians while they were reading up on the subject. The intended audience consists of applied mathematicians, computer scientists, or anyone else who wants to improve their understanding of quantum physics. We assume that the reader is familiar with fundamental concepts of linear algebra, differential equations, and to some extent the theory of Hilbert spaces. Most of the material can be found in the book by Nielsen and Chuang and in the lecture notes on open quantum systems by Lidar. Another excellent online source of information is Wikipedia, even though most of its articles on quantum physics assume a solid understanding of physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrogen Transportation and Distributed Energy Systems Risk and Feasibility Assessment for Airport Facilities - CRADA 555 (Abstract)

This CRADA presents the strategy that Pacific Northwest National Laboratory (PNNL) and Sandia National Laboratories (SNL) will take to support PDX in performing a risk assessment for several hydrogen deployment scenarios. It is intended that the deployment of hydrogen at PDX could serve several roles, including decarbonizing its bus fleet and building out a distributed energy system which could also be used to facilitate emergency operations. PDX’s initial plans concern replacing their current fleet of 28 busses with FCEBs. To do so, PDX will need to deploy the hydrogen systems needed to support the buses. This includes hydrogen storage, production, delivery, filling, compression, and maintenance. PDX also has long range plans to build a distributed energy system to support normal and resilient operations. This study will investigate the risks of each plan individually, and a combined plan which serves both. Additionally, PDX is in an area with the potential for high seismic activity, as such this work will also include a seismic risk assessment. A detailed risk assessment using PDX as a test case is necessary to ensure the deployment of large-scale hydrogen is successful and to understand the benefits or drawbacks in contrast to electric only technologies. Many technologies have been proposed that claim to utilize hydrogen for both transportation and distributed energy systems; however, these technologies need to be analyzed as they apply to an actual site. The physical infrastructure and hydrogen use cases for PDX will be analyzed, a risk assessment will be performed on the hydrogen infrastructure and distributed energy system. These assessments will be useful for understanding how each of these technologies would perform as applied to a large public facility and public safety. The results of this CRADA, and an impact of the DOE funding, will evaluate hydrogen as a key fuel for PDX and will accelerate by several years availability of hydrogen, fuel cells, and other low-carbon technologies.

08 HYDROGEN↗

Transforming the Bootstrap: Using Transformers to Compute Scattering Amplitudes in Planar N = 4 Super Yang-Mills Theory

We pursue the use of deep learning methods to improve state-of-the-art computations in theoretical high-energy physics. Planar N = 4 Super Yang-Mills theory is a close cousin to the theory that describes Higgs boson production at the Large Hadron Collider; its scattering amplitudes are large mathematical expressions containing integer coefficients. In this paper, we apply Transformers to predict these coefficients. The problem can be formulated in a language-like representation amenable to standard cross-entropy training objectives. We design two related experiments and show that the model achieves high accuracy (> 98%) on both tasks. Our work shows that Transformers can be applied successfully to problems in theoretical physics that require exact solutions.

Lance, Dixon↗

The LANL Common Modeling Framework (CMF) [Slides]

The Common Modeling Framework is a modern software repository built and maintained by the LANL Weapons Physics Directorate (ALDX). ALDX’s mission space is to develop and apply cutting-edge theory, computational models, and multi-physics simulation codes, and to design, execute, and analyze complex experiments

97 MATHEMATICS AND COMPUTING↗

Estimating Electron Temperature and Density Using Van Allen Probe Data: Typical Behavior of Energetic Electrons in the Inner Magnetosphere

Abstract The Earth's inner magnetosphere contains multiple electron populations influenced by different factors. The cold electrons of the plasmasphere, warm plasma that contributes to the ring current, and the relativistic plasma of the radiation belts often seem to behave independently. Using omni‐directional flux and energy measurements from the HOPE and Magnetic Electron Ion Spectrometer instruments aboard the Van Allen Probes, we provide a detailed density and temperature description of the inner magnetosphere, offering a comprehensive statistical analysis of the entire Van Allen Probe era. While number density and temperature data at geosynchronous orbit are available, this study focuses on the warm plasma in the inner magnetosphere . Values of density and temperature are extracted by fitting energy and phase space density to obtain the distribution function. The fitted distributions are related to the zeroth and second moments to estimate the number density and temperature. Analysis has indicated that a two Maxwellian fit is sufficient over a wide range of and that there are two independent plasma populations. The more energetic population has a median number density of approximately and a temperature of around 130 keV, with a temperature peak observed between L * = 4 and L * = 4.5. This population is relatively uniform in magnetic local time (MLT). In contrast, the less energetic warm electron population has a median number density of about and a temperature of 7.4 keV. Strong statistical trends in density and temperature across both L * and MLT are presented, along with potential sources driving these variations.

58 GEOSCIENCES↗

Ecological Forecasting in the Applied Sciences Program and Input to the Decadal Survey

Ecological forecasting uses knowledge of physics, ecology and physiology to predict how ecosystems will change in the future in response to environmental factors. Further, Ecological Forecasting employs observations and models to predict the effects of environmental change on ecosystems. In doing so, it applies information from the physical, biological, and social sciences and promotes a scientific synthesis across the domains of physics, geology, chemistry, biology, and psychology. The goal is reliable forecasts that allow decision makers access to science-based tools in order to project changes in living systems. The next decadal survey will direct the development Earth Observation sensors and satellites for the next ten years. It is important that these new sensors and satellites address the requirements for ecosystem models, imagery, and other data for resource management. This presentation will give examples of these model inputs and some resources needed for NASA to continue effective Ecological Forecasting.

Ecology↗

Adaptive Mesh Refinement for Parallel in Time Methods

The project applied the multigrid-reduction-in-time (MGRIT) algorithm to an existing sub-cycled adaptive mesh refinement (AMR) code to investigate the performance of flows dominated by inertial physics. Previous work demonstrated good performance from MGRIT+AMR applied to flows dominated by diffusive physics. Consistent with previous experience, inertial physics negatively affected convergence rates and performance. Efforts to circumvent this issue by appealing to the physics of turbulence were investigated. It has been demonstrated that scales can be effectively transferred between multigrid levels for a turbulent flow resulting in a) partial convergence observed and b) nearly identical results to sequential time-stepping. Performance improvements have not yet been demonstrated - attempts at coarsening the grid on coarser MG levels compromises the solution quality and leads to divergence. This report summarize the accomplishments for the time-frame from 10/5/2020 to 12/31/2020 with an informal no-cost-extension to 05/20/2021

97 MATHEMATICS AND COMPUTING↗

Preface to special topic: The High Repetition Rate Frontier in High-Energy-Density Physics

High-repetition-rate (HRR) experiments can collect large datasets with high temporal, spatial, and/or parametric resolution or large numbers of repeat measurements for statistics. HRR experiments also enable new experimental designs, including active feedback control loops and novel diagnostics, that can improve the reproducibility as well as the quantity of measurements. Together, these attributes make HRR experiments ideal for performing high-quality repeatable science. Until recently, these techniques have not been applied to high-energy-density–physics (HEDP) experiments, which are typically restricted to repetition rates of a few per day. However, recent advancements in lasers, pulsed-power drivers, target fabrication, and diagnostics are starting to change this fact, opening an exciting new frontier of HRR HEDP experiments. A mini-conference on this subject at the 2021 meeting of the American Physical Society Division of Plasma Physics brought together members of this growing community. As a result, the “High Repetition Rate Frontier in High-Energy-Density Physics” special topic in Physics of Plasmas highlights current progress in this exciting area.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

EFT approach to the endpoint of muon decay-in-orbit

As upcoming experiments aim to probe muon conversion with unprecedented precision, equally precise theoretical predictions are crucial to maximize discovery potential. This applies not only to the new physics signal, muon-electron conversion, but also to its only irreducible background, muon decay-in-orbit (DIO) near the endpoint. Accurate computation of higher-order corrections in bound states is a long-standing challenge due to the difficulty of systematically organizing contributions. In previous work, we developed an Effective Field Theory framework to address this issue and applied it to muon conversion. Here, we extend this approach to the DIO endpoint, a more complex problem due to the presence of a neutrino-antineutrino pair in the final state. We present the most precise prediction to date of the background spectrum relevant for future muon conversion searches, achieving next-to-leading logarithmic prime accuracy for QED corrections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A physics-informed operator regression framework for extracting data-driven continuum models

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

42 ENGINEERING↗

Improving inference with matrix elements and machine learning

Particle physics processes bring together a high-energy amplitude described by quantum field theory and nonperturbative effects and detector interactions described by complex computer simulations. We review some recently developed multivariate inference techniques that leverage this structure and combine matrix-element information with machine learning. Automated by the MadMiner package, the new techniques have been applied to multiple problems in particle physics, allowing for stronger limits than traditional analysis methods and showing their potential to improve the sensitivity of the LHC legacy measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The look-elsewhere effect from a unified Bayesian and frequentist perspective

When searching over a large parameter space for anomalies such as events, peaks, objects, or particles, there is a large probability that spurious signals with seemingly high signi ficance will be found. This is known as the look-elsewhere effect and is prevalent throughout cosmology, (astro)particle physics, and beyond. To avoid making false claims of detection, one must account for this effect when assigning the statistical significance of an anomaly. This is typically accomplished by considering the trials factor, which is generally computed numerically via potentially expensive simulations. In this paper we develop a continuous generalization of the Bonferroni and Sidak corrections by applying the Laplace approximation to evaluate the Bayes factor, and in turn relating the trials factor to the prior-to-posterior volume ratio. Here, we use this to define a test statistic whose frequentist properties have a simple interpretation in terms of the global p-value, or statistical significance. We apply this method to various physics-based examples and show it to work well for the full range of p-values, i.e. in both the asymptotic and non-asymptotic regimes. We also show that this method naturally accounts for other model complexities such as additional degrees of freedom, generalizing Wilks' theorem. This provides a fast way to quantify statistical significance in light of the look-elsewhere effect, without resorting to expensive simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Fusion and fission of particle-like chiral nematic vortex knots

Vortex knots have been seen decaying in many physical systems. Here we describe topologically protected vortex knots, which remain stable and undergo fusion and fission and conserve a topological invariant. The host medium, a chiral nematic liquid crystal, exhibits intrinsic chirality of molecular alignment, whereas cores of the vortex lines are structurally achiral regions in which a molecular twist cannot be defined. We can reversibly switch between fusion and fission of these vortex knots by applying electric pulses. This reveals the physical embodiments of concepts in knot theory, such as connected sums of knots and band surgeries. Our findings demonstrate the interplay of chirality effects at hierarchical levels from constituent molecules to the host medium and the energetically stable chiral vortex knots. This emergent physical behaviour may enable applications in electro-optics and photonics in which such fusion and fission processes of vortex knots can be used for controlling light.

Applied mathematics↗

SCALE depletion capabilities for molten salt reactors and other liquid-fueled systems

Nuclear reactor systems that use fuel dissolved in a liquid have the potential for enhanced safety characteristics, improved fuel-cycle outcomes, and more efficient isotope-production configurations. In these reactor systems, the fueled liquid may simultaneously undergo irradiation, physical and chemical removal processes, and fueling. The modeling and simulation of this transmutation and decay with material additions and removals is an ongoing research area. An accurate simulation tool is critical to the reactor and fuel-cycle design, reactor deployment, and source-term characterization for these advanced reactor systems. The work described herein involved implementing, testing, and applying the capability to perform reactor physics simulations within the Oak Ridge National Laboratory-developed SCALE suite for nuclear systems analyses and design, leveraging much of its pedigree in quality-assurance and reactor-analysis capabilities. The functionalities to simulate irradiation with material feeds and removals had been added in ORIGEN, and the TRITON reactor physics sequence was extended to calculate the total removed material and track external nonirradiated mixtures to estimate separate processing or waste streams. Results from these capabilities align with analytical expectations obtained from ORIGEN for simplified test cases and with expectations for a molten salt reactor application. This implementation, available with the SCALE 6.3 release, provides for a more efficient and accurate material accountability methodology, allowing for the characterization, design, and analysis of the complete isotopic material inventory of advanced liquid-fueled systems for a variety of applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The rigorous upscaling of advection-dominated transport in heterogeneous porous media via the Method of Finite Averages

Systems involving advection-dominated transport through heterogeneous porous and fractured media are ubiquitous in subsurface engineering applications. However, upscaling such systems continues to challenge rigorous modeling efforts, particularly when advection is stronger than diffusion at fine spatial scales (i.e., when the Péclet number is greater than one at length scales that characterize a system’s unit-cells, representative elementary volumes, or averaging regions). Here, in this work, we propose and validate a strategy for extending the Method of Finite Averages (MoFA), a rigorous upscaling methodology for heterogeneous porous media, to upscale transport systems experiencing stronger advection than diffusion at fine scales (i.e., fine-scale Péclet numbers greater than one). We detail the strategy, the physical conditions under which it can be applied while retaining a priori modeling error guarantees, and implement the strategy to obtain a MoFA model for advective-diffusive transport that accommodates advective physics at fine spatial scales. We then perform two numerical experiments considering systems with system-scale Péclet numbers of 300 and 1000 — which correspond to fine-scale Péclet numbers of 30 and 100, respectively — to verify that the error guarantees are met under the strategy. After, we conduct a numerical study to demonstrate the strategy’s advantages over the original MoFA methodology. The results suggest that rigorously-upscaled transport models for heterogeneous porous media experiencing advective physics at finer spatial scales can be derived through MoFA and resolved orders of magnitude faster than their pore-scale counterparts. The results also suggest that the presented strategy is limited to modeling shallow concentration gradients when there are large differences between the time scales related to advection and a system’s temporally-varying boundary conditions. This limitation hinders the strategy’s practicality in modeling more advective systems, and as such, opportunity exists for developing additional strategies that accommodate rapidly-varying boundary conditions — and consequentially, steeper concentration gradients — while modeling advective systems with MoFA.

36 MATERIALS SCIENCE↗

Capturing high‐resolution digital images for use in forensic document examination

Abstract In the past, pattern disciplines within forensic science have periodically faced criticism due to their subjective and qualitative nature and the perceived absence of research evaluating and supporting the foundations of their practices. Recently, however, forensic scientists and researchers in the field of pattern evidence analysis have developed and published approaches that are more quantitative, objective, and data driven. This effort includes automation, algorithms, and measurement sciences, with the end goal of enabling conclusions to be informed by quantitative models. Before employing these tools, forensic evidence must be digitized in a way that adequately balances high‐quality detail and content capture with minimal background noise imparted by the selected technique. While the current work describes the process of optimizing a method to digitize physical documentary evidence for use in semi‐automated trash mark examinations, it could be applied to assist other disciplines where the digitization of physical items of evidence is prevalent. For trash mark examinations specifically, it was found that high‐resolution photography provided optimal digital versions of evidentiary items when compared to high‐resolution scanning.

Riley, Paige↗

Lessons from the GP-B Experience for Future Fundamental Physics Missions in Space

Gravity Probe B launched in April 2004 and completed its science data collection in September 2005, with the objective of sub-milliarcsec measurement of two General Relativistic effects on the spin axis orientation of orbiting gyroscopes. Much of the technology required by GP-B has potential application in future missions intended to make precision measurements. The philosophical approach and experiment design principles developed for GP-B are equally adaptable to these mission concepts. This talk will discuss GP-B's experimental approach and the technological and philosophical lessons learned that apply to future experiments in fundamental physics. Measurement of fundamental constants to high precision, probes of short-range forces, searches for equivalence principle violations, and detection of gravitational waves are examples of concepts and missions that will benefit kern GP-B's experience.

Kolodziejczak, Jeffery↗

Dual Extended Kalman Filter for the Identification of Time-Varying Human Manual Control Behavior

A Dual Extended Kalman Filter was implemented for the identification of time-varying human manual control behavior. Two filters that run concurrently were used, a state filter that estimates the equalization dynamics, and a parameter filter that estimates the neuromuscular parameters and time delay. Time-varying parameters were modeled as a random walk. The filter successfully estimated time-varying human control behavior in both simulated and experimental data. Simple guidelines are proposed for the tuning of the process and measurement covariance matrices and the initial parameter estimates. The tuning was performed on simulation data, and when applied on experimental data, only an increase in measurement process noise power was required in order for the filter to converge and estimate all parameters. A sensitivity analysis to initial parameter estimates showed that the filter is more sensitive to poor initial choices of neuromuscular parameters than equalization parameters, and bad choices for initial parameters can result in divergence, slow convergence, or parameter estimates that do not have a real physical interpretation. The promising results when applied to experimental data, together with its simple tuning and low dimension of the state-space, make the use of the Dual Extended Kalman Filter a viable option for identifying time-varying human control parameters in manual tracking tasks, which could be used in real-time human state monitoring and adaptive human-vehicle haptic interfaces.

manual control↗