Higher-order Stationary Phase Approximations in Semiclassical Scattering
Stationary phase approximations on differential cross section expansion for elastic particle scattering mechanics
THEORETICAL PHYSICS↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Pressure-Thresholded Response in Cylindrically Shocked Cyclotrimethylene Trinitramine (RDX)
We demonstrate a strongly thresholded response in cyclotrimethylene trinitramine (RDX) when it is cylindrically shocked using a novel waveguide geometry. Using ultrafast single-shot multi-frame imaging, we demonstrate that <100 μm diameter single crystals of RDX embedded in a polymer host deform along preferential planes for >100 ns after the shock first arrives in the crystal. We use in situ imaging and time-resolved photoemission to demonstrate that short-lived chemistry occurs with complex deformation pathways. Using scanning electron microscopy and ultra-small-angle X-ray scattering, we demonstrate that the shock-induced dynamics leave behind porous crystals, with pore shapes and sizes that change significantly with shock pressure. A threshold pressure of ~12 GPa at the center of convergence separated the single-mode planar crystal deformations from the chemistry-coupled multi-plane dynamics at higher pressures. Our observations indicate preferential directions for deformation in our cylindrically shocked system, despite the applied stress along many different crystallographic planes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Comments on the paper “Eliminating beam-induced depolarizing effects in the hydrogen jet target for high-precision proton beam polarimetry at the Electron-Ion Collider” (Part I)
A critical review of the methodology used in F. Rathmann et al., Phys. Rev. Accel. Beams 29, 021001 (2026), to evaluate beam-induced depolarization of the Atomic Polarized Hydrogen Gas Jet (HJET) target at the Electron–Ion Collider (EIC) is presented. It is shown that several key assumptions underlying that analysis—including the introduction of a photon emission threshold, the application of Fermi’s Golden Rule to coherent hyperfine transitions, the interpretation of power broadening as a physical linewidth increase, and the treatment of spatial magnetic fields—are either incorrect or internally inconsistent. As a consequence, the predicted large depolarization effects are demonstrated to be artifacts of the adopted methodology rather than genuine physical phenomena. A consistent quantum-mechanical treatment based on the time-dependent Schrödinger equation shows that beam-induced depolarization probabilities at the EIC are negligibly small.
43 PARTICLE ACCELERATORS↗
A thermodynamic analysis of hypervelocity impacts on metals
Hypervelocity impacts on solid surfaces generate and propagate shock waves and create extreme density, pressure, and temperature conditions. Understanding hypervelocity impacts requires a multi-physics approach at the intersection of fluid dynamics, solid mechanics, and quantum theory, which has the capability of spanning multiple different dominating physics regimes. These strong shock conditions found in hypervelocity impacts are studied in the context of high-speed collisions between spacecraft and meteoroids and debris. We study the problem of hypervelocity impacts on metals with the lens of understanding the processes that lead to the creation of an impact generated plasma. In order to characterize the impacting particle as well as its threat to spacecraft from the subsequent radiating plasma an analysis was performed that highlights how the kinetic energy of the impactor is deposited into a target, how the shock wave and shocked material in the target evolve, and how these effects can lead towards the creation of an impact plasma through heating. The analysis suggests that at low velocities the majority of the energy from a hypervelocity impact is stored in reversible elastic energy and does not contribute to strong heating. At higher impact velocities, nucleus and electron thermal components dominate, increasing the energy available for ionization. Overall, this work provides the complete set of state variable initial conditions for any study of hypervelocity impact plasma expansion and its effects.
42 ENGINEERING↗
The University of Virginia, Theoretical High Energy Physics (Final Technical Report)
We summarize research performed in the final reporting period of grant DE-SC0007984 for University of Virginia, Theoretical High Energy Physics. Progress was made on studying quantum mechanical effects in the showering of high energy particles inside a quark-gluon plasma, on the effects of extra dimensions on gravitational waves, and on expanding the use of what is known as the "worldline" formalism in quantum field theory.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Fourth International Conference on Squeezed States and Uncertainty Relations
The fourth International Conference on Squeezed States and Uncertainty Relations was held at Shanxi University, Taiyuan, Shanxi, China, on June 5 - 9, 1995. This conference was jointly organized by Shanxi University, the University of Maryland (U.S.A.), and the Lebedev Physical Institute (Russia). The first meeting of this series was called the Workshop on Squeezed States and Uncertainty Relations, and was held in 1991 at College Park, Maryland. The second and third meetings in this series were hosted in 1992 by the Lebedev Institute in Moscow, and in 1993 by the University of Maryland Baltimore County, respectively. The scientific purpose of this series was initially to discuss squeezed states of light, but in recent years, the scope is becoming broad enough to include studies of uncertainty relations and squeeze transformations in all branches of physics, including, of course, quantum optics and foundations of quantum mechanics. Quantum optics will continue playing the pivotal role in the future, but the future meetings will include all branches of physics where squeeze transformations are basic transformation. This transition took place at the fourth meeting of this series held at Shanxi University in 1995. The fifth meeting in this series will be held in Budapest (Hungary) in 1997, and the principal organizer will be Jozsef Janszky of the Laboratory of Crystal Physics, P.O. Box 132, H-1052. Budapest, Hungary.
Han, D.↗
Charge density wave and superconductivity in the disordered Holstein model
The interplay between electron-electron correlations and disorder has been a central theme of condensed matter physics over the past several decades, with particular interest in the possibility that interactions might cause delocalization of an Anderson insulator into a metallic state, and the disrupting effects of randomness on magnetic order and the Mott phase. In this work, we extend this physics to explore electron-phonon interactions and show, via exact quantum Monte Carlo simulations, that the suppression of the charge density wave correlations in the half-filled Holstein model by disorder can stabilize a superconducting phase. Our simulations thus capture qualitatively the suppression of charge ordered phases and emergent superconductivity recently seen experimentally.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Barren Plateaus Preclude Learning Scramblers
Scrambling processes, which rapidly spread entanglement through many-body quantum systems, are difficult to investigate using standard techniques, but are relevant to quantum chaos and thermalization. In this Letter, we ask if quantum machine learning (QML) could be used to investigate such processes. In this study we prove a no-go theorem for learning an unknown scrambling process with QML, showing that it is highly probable for any variational Ansatz to have a barren plateau landscape, i.e., cost gradients that vanish exponentially in the system size. This implies that the required resources scale exponentially even when strategies to avoid such scaling (e.g., from Ansatz -based barren plateaus or no-free-lunch theorems) are employed. Furthermore, we numerically and analytically extend our results to approximate scramblers. Hence, our work places generic limits on the learnability of unitaries when lacking prior information.
97 MATHEMATICS AND COMPUTING↗
Energy conversion and transport in molecular-scale junctions
Molecular-scale junctions (MSJs) have been considered the ideal testbed for probing physical and chemical processes at the molecular scale. Due to nanometric confinement, charge and energy transport in MSJs are governed by quantum mechanically dictated energy profiles, which can be tuned chemically or physically with atomic precision, offering rich possibilities beyond conventional semiconductor devices. While charge transport in MSJs has been extensively studied over the past two decades, understanding energy conversion and transport in MSJs has only become experimentally attainable in recent years. As demonstrated recently, by tuning the quantum interplay between the electrodes, the molecular core, and the contact interfaces, energy processes can be manipulated to achieve desired functionalities, opening new avenues for molecular electronics, energy harvesting, and sensing applications. This Review provides a comprehensive overview and critical analysis of various forms of energy conversion and transport processes in MSJs and their associated applications. We elaborate on energy-related processes mediated by the interaction between the core molecular structure in MSJs and different external stimuli, such as light, heat, electric field, magnetic field, force, and other environmental cues. Key topics covered include photovoltaics, electroluminescence, thermoelectricity, heat conduction, catalysis, spin-mediated phenomena, and vibrational effects. Furthermore, the review concludes with a discussion of existing challenges and future opportunities, aiming to facilitate in-depth future investigation of promising experimental platforms, molecular design principles, control strategies, and new application scenarios.
Charge transport↗
Does the vacuum gravitate on microscopic scales? Rydberg atoms indicate probably not
The cosmological constant presents one of the most fascinating and confounding problems in physics. A straightforward, seemingly robust prediction of quantum mechanics and general relativity is that the vacuum energy gravitates. Therefore, the cosmological constant should be enormous. It is minuscule. Since there is no understanding of why the cosmological constant is so small, it is important to test this idea in many different situations. In particular, given the span of distances in astronomy and particle physics, it is vital to test the gravitation of vacuum energy on as many distance scales as we can. Rydberg atoms open up a new set of distances for exploration. It is satisfying to measure the cosmological constant with an atom, but its main significance is extending measurements to microscopic distances. Here, too, there is no evidence of the gravitation of the vacuum. At scales of a micron and less, we place a limit of 7 GeV on the scale of gravitating vacuum energy, well below the scale of 100 GeV of the Standard Model of particle physics.
79 ASTRONOMY AND ASTROPHYSICS↗
Analytic Theory and Control of the Motion of Spinning Rigid Bodies
Numerical simulations are often resorted to, in order to understand the attitude response and control characteristics of a rigid body. However, this approach in performing sensitivity and/or error analyses may be prohibitively expensive and time consuming, especially when a large number of problem parameters are involved. Thus, there is an important role for analytical models in obtaining an understanding of the complex dynamical behavior. In this dissertation, new analytic solutions are derived for the complete attitude motion of spinning rigid bodies, under minimal assumptions. Hence, we obtain the most general solutions reported in the literature so far. Specifically, large external torques and large asymmetries are included in the problem statement. Moreover, problems involving large angular excursions are treated in detail. A new tractable formulation of the kinematics is introduced which proves to be extremely helpful in the search for analytic solutions of the attitude history of such kinds of problems. The main utility of the new formulation becomes apparent however, when searching for feedback control laws for stabilization and/or reorientation of spinning spacecraft. This is an inherently nonlinear problem, where standard linear control techniques fail. We derive a class of control laws for spin axis stabilization of symmetric spacecraft using only two pairs of gas jet actuators. Practically, this could correspond to a spacecraft operating in failure mode, for example. Theoretically, it is also an important control problem which, because of its difficulty, has received little, if any, attention in the literature. The proposed control laws are especially simple and elegant. A feedback control law that achieves arbitrary reorientation of the spacecraft is also derived, using ideas from invariant manifold theory. The significance of this research is twofold. First, it provides a deeper understanding of the fundamental behavior of rigid bodies subject to body-fixed torques. Assessment of the analytic solutions reveals that they are very accurate; for symmetric bodies the solutions of Euler's equations of motion are, in fact, exact. Second, the results of this research have a fundamental impact on practical scientific and mechanical applications in terms of the analysis and control of all finite-sized rigid bodies ranging from nanomachines to very large bodies, both man made and natural. After all, Euler's equations of motion apply to all physical bodies, barring only the extreme limits of quantum mechanics and relativity.
Tsiotras, Panagiotis↗
Quantum Mechanical Simulations of Dynamics of Electronic Excitations in Low-Dimensional Photovoltaics Materials
Dynamics of electronically excited states including exciton generation and relaxation, exciton-exciton interaction, and charge/energy transfer and transport, are critical to understanding and optimizing photovoltaic materials. Although considerable progress has been made, accurate experimental characterization of such crucial dynamics remains extremely challenging, especially in low-dimensional materials. In this talk, I will discuss how the advancement of quantum mechanical simulations of the dynamics of electronic excitations can reveal the physical mechanisms hindering or improving solar energy harvest. Specifically, we find that surface dangling-bond defects on silicon quantum dots cause rapid charge recombination and low carrier mobility in the inorganic-organic PV cells. Although small quantum dots are essentially free of defects, their optical gaps are too large. To solve this issue, a full-spectrum-light-absorption scheme is computationally designed, taking advantage of complexity and flexibility of low-dimensional materials consisting of different characteristics and dimensions. In this scheme the multifunctional ligands are used to (1) passivate against oxidation, (2) facilitate interfacial charge transfer, and (3) improve both charge transport and optical absorption. A joint theoretical and experimental study has demonstrated the feasibility of this approach. Finally, I will briefly talk about how this scheme and the well-tested quantum mechanical simulations can be employed to help improve energy-conversion efficiency in perovskite photovoltaics including perovskite-based tandem cells.
Zhigang Wu↗
Many-Body Physics in the NISQ Era: Quantum Programming a Discrete Time Crystal
Recent progress in the realm of noisy intermediate-scale quantum (NISQ) devices represents an exciting opportunity for many-body physics by introducing new laboratory platforms with unprecedented control and measurement capabilities. We explore the implications of NISQ platforms for many-body physics in a practical sense: we ask which physical phenomena, in the domain of quantum statistical mechanics, they may realize more readily than traditional experimental platforms. While a universal quantum computer can simulate any system, the eponymous noise inherent to NISQ devices practically favors certain simulation tasks over others in the near term. As a particularly well-suited target, we identify discrete time crystals (DTCs), novel nonequilibrium states of matter that break time translation symmetry. These can only be realized in the intrinsically out-of-equilibrium setting of periodically driven quantum systems stabilized by disorder-induced many-body localization. While promising precursors of the DTC have been observed across a variety of experimental platforms—ranging from trapped ions to nitrogen-vacancy centers to NMR crystals—none have all the necessary ingredients for realizing a fully fledged incarnation of this phase, and for detecting its signature long-range spatiotemporal order. We show that a new generation of quantum simulators can be programmed to realize the DTC phase and to experimentally detect its dynamical properties, a task requiring extensive capabilities for programmability, initialization, and readout. Specifically, the architecture of Google’s Sycamore processor is a remarkably close match for the task at hand. We also discuss the effects of environmental decoherence, and how they can be distinguished from ‘internal’ decoherence coming from closed-system thermalization dynamics. Already with existing technology and noise levels, we find that DTC spatiotemporal order would be observable over hundreds of periods, with parametric improvements to come as the hardware advances.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Tuning microwave losses in superconducting resonators
Abstract The performance of superconducting resonators, particularly cavities for particle accelerators and micro cavities and thin film resonators for quantum computations and photon detectors, has been improved substantially by recent material treatments and technological advances. As a result, the niobium cavities have reached the quality factors Q ∼ 10 11 at 1–2 GHz and 1.5 K and the breakdown radio-frequency (rf) fields H close to the dc superheating field of the Meissner state. These advances raise the questions of whether the state-of-the-art cavities are close to the fundamental limits, what these limits actually are, and to what extent the Q and H limits can be pushed by the materials nano structuring and impurity management. These issues are also relevant for many applications using high-Q thin film resonators, including single-photon detectors and quantum circuits. This topical review outlines basic physical mechanisms of the rf nonlinear surface impedance controlled by quasiparticles, dielectric losses and trapped vortices, as well as the dynamic field limit of the Meissner state. Sections cover methods of engineering an optimum quasiparticle density of states and superfluid density to reduce rf losses and kinetic inductance by pairbreaking mechanisms related to magnetic impurities, rf currents, and proximity-coupled metallic layers at the surface. A section focuses on mechanisms of residual surface resistance, which dominates rf losses at ultra low temperatures. Microwave losses of trapped vortices and their reduction by optimizing the concentration of impurities and pinning potential are also discussed.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
The Vision of Human Spaceflight
First, we live in a world where change is the norm, not the exception. The scientific revolution springing from quantum mechanics yielded new understanding of solid state physics leading to stunning advances in computation, communication, and transportation. Two World Wars and one Cold War introduced massive governmental investment in research and development. The unusual pragmatic and classless entrepreneurship of U.S. society promoted commercialization and innovative marketing of new technology. As a result, the 20th Century experienced a constantly accelerating culture of change. Those societies that accepted and embraced the new capabilities dominated commercially and militarily; those that did not fell behind. I remember when there was no color television, when there were no personal computers, when there was no email, when there was no World Wide Web, when there were no cell phones. Now many of us cannot live without these things. Change has become the measure of success. Our children anticipate the future and do not expect it to look like the past. Secondly, our elementary school students are fascinated by dinosaurs, ghosts, and space. Astronauts create excitement. None question that humans will be in space in their future. They see it every week, even every day, in stories on television. To be an astronaut is considered a legitimate ambition. They see space travel to be an adventure just as our grandparents saw exploring Africa or the polar regions to be an adventure into the unknown. Third, we live in a time when our understanding of the space environment makes us realize that the existence of our species is one large impact away from extinction. We understand that our population explosion is changing our home planet in fundamental ways and that wars over terrestrial resources may be less than two generations away. We feel more connected to our space neighborhood than ever before. Many nations of the world are looking outward toward our Moon in an unprecedented way. A lunar space mission will be launched from somewhere every year for the next decade, at least.
Mendell, Wendell↗
Predicting Melt Properties Using Atomistic Simulations With A Highly Accurate Physically Informed Neural Network Interatomic Potential
The use of a recently developed machine learning (ML) interatomic potential for molecular dynamics simulations of aluminum melt properties will be presented. Such properties are critical for process modeling in additive manufacturing, including the melt pool size, solidification, and formation of solidification microstructures. Direct first-principles modeling of these processes is computationally prohibitive whereas simulations employing ML potentials combine the high accuracy of quantum-mechanical methods with high computational speeds. The physically-informed neural network (PINN) method used herein, integrates a high-dimensional regression implemented by an artificial neural network with a physics-based bond-order interatomic potential. PINN potentials can accurately reproduce many properties of aluminum in both crystalline-solid and liquid phases. We examine the accuracy of a PINN Al potential in predicting the density, self-diffusivity, viscosity, and the tension of the liquid surface and liquid-solid interfaces. Comparison with experimental data and ab initio molecular dynamics calculations shows very good agreement for all properties tested.
molecular dynamics↗
Murray Gell-Mann
Murray Gell-Mann, the preeminent architect of theoretical elementary-particle physics, died on 24 May 2019 in Santa Fe, New Mexico. He received the 1969 Nobel Prize “for his contributions and discoveries concerning the classification of elementary particles and their interactions.” His contributions to physics include many foundational ideas, such as the renormalization group, which is fundamental to quantum field theory and statistical mechanics.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Enabling robust offline active learning for machine learning potentials using simple physics-based priors
Abstract Machine learning surrogate models for quantum mechanical simulations have enabled the field to efficiently and accurately study material and molecular systems. Developed models typically rely on a substantial amount of data to make reliable predictions of the potential energy landscape or careful active learning (AL) and uncertainty estimates. When starting with small datasets, convergence of AL approaches is a major outstanding challenge which has limited most demonstrations to online AL. In this work we demonstrate a Δ-machine learning (ML) approach that enables stable convergence in offline AL strategies by avoiding unphysical configurations with initial datasets as little as a single data point. We demonstrate our framework’s capabilities on a structural relaxation, transition state calculation, and molecular dynamics simulation, with the number of first principle calculations being cut down anywhere from 70%–90%. The approach is incorporated and developed alongside AMP torch , an open-source ML potential package, along with interactive Google Colab notebook examples.
Shuaibi, Muhammed↗