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At least 343 records · Page 19

Systematic input scheme for many-boson Hamiltonians with applications to the two-dimensional 𝜙 4 theory

We develop a novel, systematic input scheme for many-boson Hamiltonians in order to solve field theory problems within the light-front Hamiltonian formalism via quantum computing. We present our discussion of this input scheme based on the light-front Hamiltonian of the two-dimensional ϕ 4 theory. In our input scheme, we employ a set of quantum registers, where each register encodes the occupation of a distinct boson mode as binaries. We squeeze the boson operators of each mode and present the Hamiltonian in terms of unique combinations of the squeezed-boson operators. We design the circuit modules for these unique combinations. Based on these circuit modules, we block encode the many-boson Hamiltonian utilizing the idea of quantum walk. For demonstration purposes, we present the spectral calculations of the Hamiltonian utilizing the hybrid quantum-classical symmetry-adapted quantum Krylov subspace diagonalization algorithm based on our input scheme, where the quantum computations are performed with the IBM Qiskit quantum simulator. The results of the hybrid calculations agree with exact results. Here, we can incorporate the input scheme in this work with the input scheme for many-fermion Hamiltonians; they jointly offer new pathways to solving the structure and dynamics of more general field theory problems on future fault-tolerant quantum computers.

Ab initio calculations↗

Linear growth of circuit complexity from Brownian dynamics

How rapidly can a many-body quantum system generate randomness? Using path integral methods, we demonstrate that Brownian quantum systems have circuit complexity that grows linearly with time. In particular, we study Brownian clusters of N spins or fermions with time-dependent all-to-all interactions, and calculate the Frame Potential to characterize complexity growth in these models. In both cases the problem can be mapped to an effective statistical mechanics problem which we study using path integral methods. Within this framework it is straightforward to show that the kth Frame Potential comes within ϵ of the Haar value after a time of order t ~ kN + k log k + log ϵ –1 . Using a bound on the diamond norm, this implies that such circuits are capable of coming very close to a unitary k-design after a time of order t ~ kN. We also consider the same question for systems with a time-independent Hamiltonian and argue that a small amount of time-dependent randomness is sufficient to generate a k-design in linear time provided the underlying Hamiltonian is quantum chaotic. These models provide explicit examples of linear complexity growth that are analytically tractable and are directly applicable to practical applications calling for unitary k-designs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Krylov Subspace Methods for Quantum Dynamics with Time-Dependent Generators

Krylov subspace methods in quantum dynamics identify the minimal subspace in which a process unfolds. To date, their use is restricted to time evolutions governed by time-independent generators. Here, we introduce a generalization valid for driven quantum systems governed by a time-dependent Hamiltonian that maps the evolution to a diffusion problem in a one-dimensional lattice with nearest-neighbor hopping probabilities that are inhomogeneous and time dependent. This representation is used to establish a novel class of fundamental limits to the quantum speed of evolution and operator growth. We also discuss generalizations of the algorithm, adapted to discretized time evolutions and periodic Hamiltonians, with applications to many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamics of lunar origin and orbital evolution

The considerable differences in bulk composition of the moon and the earth have led most investigators to favor the capture hypothesis of lunar origin. However, upon closer examination all forms of the hypothesis still seem much less plausible dynamically than formation by accretion, i.e., acquisition of the moon in many small pieces rather than as predominantly one body. Models of accretion do suggest that the proto-lunar matter had a significantly different history from the proto-earth matter. A better understanding of collisions is needed to infer the compositional consequences of this history. Recent work on the acceleration of the moon's orbit exacerbates the time scale problem of orbital evolution. However, it now is much clearer that the locus of tidal dissipation is in the oceans and hence that the solution to the time scale problem lies in differing oceanic configurations in the past.

Kaula, W. M.↗

Adhesion Between Volcanic Glass and Spacecraft Materials in an Airless Body Environment

The successful exploration of airless bodies, such as the Earth s moon, many smaller moons of the outer planets (including those of Mars) and asteroids, will depend on the development and implementation of effective dust mitigation strategies. The ultrahigh vacuum environment (UHV) on the surfaces of these bodies, coupled with constant ion and photon bombardment from the Sun and micrometeorite impacts (space weathering), makes dust adhesion to critical spacecraft systems a severe problem. As a result, the performance of thermal control surfaces, photovoltaics and mechanical systems can be seriously degraded even to the point of failure. The severe dust adhesion experienced in these environments is thought to be primarily due to two physical mechanisms, electrostatic attraction and high surface energies, but the dominant of these has yet to be determined. The experiments presented here aim to address which of these two mechanisms is dominant by quantifying the adhesion between common spacecraft materials (polycarbonate, FEP and PTFE Teflon, (DuPont) Ti-6-4) and a synthetic noritic volcanic glass, as a function of surface cleanliness and triboelectric charge transfer in a UHV environment. Adhesion force has been measured between pins of spacecraft materials and a plate of synthetic volcanic glass by determining the pull-off force with a torsion balance. Although no significant adhesion is observed directly as a result of high surface energies, the adhesion due to induced electrostatic charge is observed to increase with spacecraft material cleanliness, in some cases by over a factor of 10, although the increase is dependent on the particular material pair. The knowledge gained by these studies is envisioned to aid the development of new dust mitigation strategies and improve existing strategies by helping to identify and characterize mechanisms of glass to spacecraft adhesion for norite volcanic glass particles. Furthermore, the experience of the Apollo missions revealed that dust mitigation strategies must be subjected to high fidelity tests. To facilitate the effectiveness of ground-based testing of mitigation strategies, the issue of a pressure limit for high fidelity tests will be addressed.

Berkebile, Stephen↗

An "Inefficient Fin" Non-Dimensional Parameter to Measure Gas Temperatures Efficiently

A gas containment vessel that is not in thermal equilibrium with the bulk gas can affect its temperature measurement. The physical nature of many gas dynamics experiments often makes the accurate measurement of temperature a challenge. The environment itself typically requires that the thermocouple be sheathed, both to protect the wires and hot junction of the instrument from their environment, and to provide a smooth, rigid surface for pressure sealing of the enclosure. However, that enclosure may also be much colder than the gas to be sensed, or vice-versa. Either way, the effect of such gradients is to potentially skew the temperature measurements themselves, since heat may then be conducted by the instrument. Thermocouple designers traditionally address this problem by insulating the sheath from the thermocouple leads and hot junction as much as possible. The thermocouple leads are typically packed in a ceramic powder inside the sheath, protecting them somewhat from temperature gradients along the sheath, but there is no effective mechanism to shield the sheath from the enclosure body itself. Standard practice dictates that thermocouples be used in installations that do not present large thermal gradients along the probe. If this conduction dominates heat transfer near the tip of the probe, then temperature measurements may be expected to be skewed. While the same problem may be experienced in the measurement of temperature at various points within a solid in a gradient, it tends to be aggravated in the measurements of gas temperature, since heat transfer dependent on convection is often less efficient than conduction along the thermocouple. The proposed solution is an inefficient fin thermocouple probe. Conventional wisdom suggests that in many experiments where gas flows through an enclosure (e.g., flow in pipe, manifold, nozzle, etc.), the thermocouple be introduced flush to the surface, so as not to interfere with the flow. In practice, however, many such experiments take place where the flow is already turbulent, so that a protruding thermocouple probe has a negligible effect on the flow characteristics. The key question then becomes just how far into the flow should a thermocouple protrude in order to properly sense the gas temperature at that point. Modeling the thermocouple as an "inefficient fin" directly addresses this question. The appropriate assumptions in this case are: one-dimensional conduction along the fin; steady-state, constant, and homogeneous thermal conductivity; negligible radiation; and a uniform, constant heat transfer coefficient over the probe surface. It is noted that the nature of the ceramic-filled probe makes the key assumption of homogeneous thermal conductivity that much more conservative.

Lemieux, Patrick↗

The Pursuit of K: Reflections on the Current State-of-the-Art in Stress Intensity Factor Solutions for Practical Aerospace Applications

The elastic stress intensity factor (SIF, commonly denoted as K) is the foundation of practical fracture mechanics (FM) analysis for aircraft structures. This single parameter describes the first-order effects of stress magnitude and distribution as well as the geometry of both structure/component and crack. Hence, the calculation of K is often the most significant step in fatigue analysis based on FM. This presentation will provide several reflections on the current state-of-the-art in SIF solution methods used for practical aerospace applications, including a brief historical perspective, descriptions of some recent and ongoing advances, and comments on some remaining challenges. Newman and Raju made significant early contributions to practical structural analysis by developing closed-form SIF equations for surface and corner cracks in simplified geometries, often based on empirical fits of finite element (FE) solutions. Those solutions (and others like them) were sometimes revised as new analyses were conducted or limitations discovered. The foundational solutions have exhibited striking longevity, despite the relatively "coarse" FE models employed many decades ago. However, in recent years, the accumulation of different generations of solutions for the same nominal geometry has led to some confusion (which solution is correct?), and steady increases in computational capabilities have facilitated the discovery of inaccuracies in some (not all!) of the legacy solutions. Some examples of problems and solutions are presented and discussed, including the challenge of maintaining consistency with legacy design applications. As computational power has increased, the prospect of calculating large numbers of SIF solutions for specific complex geometries with advanced numerical methods has grown more attractive. Fawaz and Andersson, for example, have been generating literally millions of new SIF solutions for different combinations of multiple cracks under simplified loading schemes using p-version FE methods. These data are invaluable, but questions remain about their practical use, because the tabular databases of key results needed to support practical life analysis can occupy gigabytes of storage for only a few classes of geometries. The prospect of using such advanced numerical methods to calculate in real time only those K solutions actually needed to support a specific crack growth analysis is also tempting, but the stark reality is that the computational cost is still so high that the approach is not practical except for specific, critical application problems. Some thoughts are offered about alternative paradigms. Compounding approaches are some of the earliest building blocks of SIF development for more complex geometries. These approaches are especially attractive because of their very low computational cost and their conceptual robustness; they are, in some ways, an intriguing contrast and complement to the brute-force numerical methods. In recent years, researchers at NRC-Canada have published remarkable results showing how compounding approaches can be used to generate accurate solutions for very difficult problems. Examples are provided of some successes--and some limitations--using this approach. These closed-form, tabulated numerical, and compounding approaches have typically been used for simple remote loading with simple load paths to the crack. However, many significant cracks occur in complex stress gradient fields. This is a job for weight function (WF) methods, where the arbitrary stress distribution on the crack plane in the corresponding uncracked body (typically determined using FE methods) is used to determine K. Several significant recent advances in WF methods and solutions are highlighted here. Fueled by advanced 3D numerical methods, many new solutions have been generated for classic geometries such as surface and corner cracks with wide ranges of geometrical validity. A new WF formulation has also be developed for part-through cracks considering the arbitrary stress gradients in all directions in the crack plane (so-called bivariant solutions). Basic WF methods have recently been combined with analytical expressions for crack plane stresses to develop a large family of accurate SIF solutions for corner, surface, and through cracks at internal or external notches with very wide ranges of shapes, sizes, acuities, and offsets. Finally, WF solutions are much faster than FE or boundary element solutions, but can still be much slower than simple closed-form solutions, especially for bivariant solutions that can require 2D numerical integration. Novel pre-integration and dynamic tabular methods have been developed that substantially increase the speed of these advanced WF solutions. The practical utility of advanced SIF methods, including both WF and direct numerical methods, is greatly enhanced if the FM life analysis can be directly and efficiently linked with digital models of the actual structure or component (e.g., FE models for stress analysis). Two recent advances of this type will be described. One approach directly interfaces the FM life analysis with the FE model of the uncracked component (including stress results). Through a powerful graphical user interface, simplified FM life models can be constructed (and visualized) directly on the component model, with the computer collecting the geometry and stress gradient information needed for the life calculation. An even more powerful paradigm uses expert logic to automatically build an optimum simple fracture model at any and every desired location in the component model, perform the life calculation, and even generate fatigue crack growth life contour maps, all with minimal user intervention. This paradigm has also been extended to the automatic calculation of fracture risk, considering uncertainty or variability in key input parameters such as initial crack size or location. Another new integrated approach links the engineering life analysis, the component model, and a 3D numerical fracture analysis built with the same component model to generate a table of SIF values at a specific location that can then be employed efficiently to perform the life calculation. Some attention must be given to verification and validation (V&V) issues and challenges: how good are these SIF solutions, how good is good enough, and does anyone believe the life answer? It is important to think critically about the different sources of error or uncertainty and to perform V&V in a hierarchal, building-block manner. Some accuracy issues for SIF solutions, for example, may actually involve independent material behavior issues, such as constraint loss effects for crack fronts near component surfaces, and can be a source of confusion. Recommendations are proposed for improved V&V approaches. This presentation will briefly but critically survey the range of issues and advances mentioned above, with a particular view towards assembling an integrated approach that combines different methods to create practical tools for real-world design and analysis problems. Examples will be selectively drawn from the recent literature, from recent enhancements in the NASGRO and DARWIN computer codes, and from previously unpublished research

CraigMcClung, R.↗

Newton versus the machine: solving the chaotic three-body problem using deep neural networks

ABSTRACT Since its formulation by Sir Isaac Newton, the problem of solving the equations of motion for three bodies under their own gravitational force has remained practically unsolved. Currently, the solution for a given initialization can only be found by performing laborious iterative calculations that have unpredictable and potentially infinite computational cost, due to the system’s chaotic nature. We show that an ensemble of converged solutions for the planar chaotic three-body problem obtained using an arbitrarily precise numerical integrator can be used to train a deep artificial neural network (ANN) that, over a bounded time interval, provides accurate solutions at a fixed computational cost and up to 100 million times faster than the numerical integrator. In addition, we demonstrate the importance of training an ANN using converged solutions from an arbitrary precise integrator, relative to solutions computed by a conventional fixed precision integrator, which can introduce errors in the training data, due to numerical round-off and time discretization, that are learned by the ANN. Our results provide evidence that, for computationally challenging regions of phase space, a trained ANN can replace existing numerical solvers, enabling fast and scalable simulations of many-body systems to shed light on outstanding phenomena such as the formation of black hole binary systems or the origin of the core collapse in dense star clusters.

Breen, Philip G.↗

Adaptive variational quantum minimally entangled typical thermal states for finite temperature simulations

Scalable quantum algorithms for the simulation of quantum many-body systems in thermal equilibrium are important for predicting properties of quantum matter at finite temperatures. Here we describe and benchmark a quantum computing version of the minimally entangled typical thermal states (METTS) algorithm for which we adopt an adaptive variational approach to perform the required quantum imaginary time evolution. The algorithm, which we name AVQMETTS, dynamically generates compact and problem-specific quantum circuits, which are suitable for noisy intermediate-scale quantum (NISQ) hardware. We benchmark AVQMETTS on statevector simulators and perform thermal energy calculations of integrable and nonintegrable quantum spin models in one and two dimensions and demonstrate an approximately linear system-size scaling of the circuit complexity. We further map out the finite-temperature phase transition line of the two-dimensional transverse field Ising model. Finally, we study the impact of noise on AVQMETTS calculations using a phenomenological noise model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A time-dependent momentum-resolved scattering approach to core-level spectroscopies

While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading framework for dealing with this problem. Augmenting computationally affordable low-rank approximations in CC theory with a perturbative account of higher-rank excitations is a tractable and effective way of accounting for the missing electron correlation in those approximations. This is perhaps best exemplified by the “gold standard” CCSD(T) method, which bolsters the baseline CCSD with the effects of triple excitations using considerations from many-body perturbation theory (MBPT). Despite this established success, such a synergy between MBPT and the unitary analog of CC theory (UCC) has not been explored. In this work, we propose a similar approach wherein converged UCCSD amplitudes are leveraged to evaluate energy corrections associated with triple excitations, leading to the UCCSD[T] method. In terms of quantum computing, this correction represents an entirely classical post-processing step that improves the energy estimate by accounting for triple excitation effects without necessitating new quantum algorithm developments or increasing demand for quantum resources. The rationale behind this choice is shown to be rigorous by studying the properties of finite-order UCC energy functionals, and our efforts do not support the addition of the fifth-order contributions as in the (T) correction. We assess the performance of these approaches on a collection of small molecules and demonstrate the benefits of harnessing the inherent synergy between MBPT and UCC theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicting impurity spectral functions using machine learning

The Anderson Impurity Model (AIM) is a canonical model of quantum many-body physics. Here we investigate whether machine learning models, both neural networks (NN) and kernel ridge regression (KRR), can accurately predict the AIM spectral function in all of its regimes, from empty orbital, to mixed valence, to Kondo. To tackle this question, we construct two large spectral databases containing approximately 410 000 and 600 000 spectral functions of the single-channel impurity problem. We show that the NN models can accurately predict the AIM spectral function in all of its regimes, with pointwise mean absolute errors down to 0.003 in normalized units. We find that the trained NN models outperform models based on KRR and enjoy a speedup on the order of 10 5 over traditional AIM solvers. Finally, the required size of the training set of our model can be significantly reduced using farthest point sampling in the AIM parameter space, which is important for generalizing our method to more complicated multichannel impurity problems of relevance to predicting the properties of real materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Numerical experiments on galaxy formation. I - Introduction and first results

The large, fully three-dimensional n-body programs designed for numerical experiments on the dynamics of galaxies have been used for investigations of protogalactic collapses. The dynamical aspects of galaxy formation dominate in this approach. The present experiments start from a large rotating gaseous mass that is made up of many gas clouds. The large mass collapses because it is out of equilibrium. Stars form as the collapse proceeds. The problem is formulated, limiting-case examples are described, and results from simple 'first cut' models are given. Results with no star formation are contrasted with results for very rapid star formation. All models with gas formed thin disklike structures; some were circular, while others were oval. The principal result from the simple models is that stars continue to form rapidly even after the gas has been depleted to unacceptably low levels (1% of the galactic mass in gas).

Miller, R. H.↗

Relating space radiation environments to risk estimates

A number of considerations must go into the process of determining the risk of deleterious effects of space radiation to travelers. Among them are (1) determination of the components of the radiation environment (particle species, fluxes and energy spectra) which will encounter, (2) determination of the effects of shielding provided by the spacecraft and the bodies of the travelers which modify the incident particle spectra and mix of particles, and (3) determination of relevant biological effects of the radiation in the organs of interest. The latter can then lead to an estimation of risk from a given space scenario. Clearly, the process spans many scientific disciplines from solar and cosmic ray physics to radiation transport theeory to the multistage problem of the induction by radiation of initial lesions in living material and their evolution via physical, chemical, and biological processes at the molecular, cellular, and tissue levels to produce the end point of importance.

Curtis, Stanley B.↗

Designing a Framework for Solving Multiobjective Simulation Optimization Problems

Multiobjective simulation optimization (MOSO) problems are optimization problems with multiple conflicting objectives, where evaluation of at least one of the objectives depends on a black-box numerical code or real-world experiment, which we refer to as a simulation. Whereas an extensive body of research is dedicated to developing new algorithms and methods for solving these and related problems, it is challenging and time-consuming to integrate these techniques into real-world production-ready solvers. This is partly because of the diversity and complexity of modern state-of-the-art MOSO algorithms and methods and partly because of the complexity and specificity of many real-world problems and their corresponding computing environments. The complexity of this problem is only compounded when introducing potentially complex and/or domain-specific surrogate-modeling techniques, problem formulations, design spaces, and data acquisition functions. Here, this paper carefully surveys the current state of the art in MOSO algorithms, techniques, and solvers, as well as problem types and computational environments where MOSO is commonly applied. We then present several key challenges in the design of a parallel multiobjective simulation optimization framework (ParMOO) and how they have been addressed. Finally, we provide two case studies demonstrating how customized ParMOO solvers can be quickly built and deployed to solve real-world MOSO problems.

engineering design optimization↗

Initial operational capability of the ASTREX large space structures test bed

Future DOD, NASA, and SDI space systems will be larger than any spacecraft flown before. The economics of placing these large space systems (LSS) into orbit dictates that they be as low in mass as possible. The combination of very large size and relatively low mass produces systems which possess little structural rigidity. This flexibility causes severe technical problems when combined with the precise shape and pointing requirements associated with many future LSS missions. Development of new control technologies which can solve these problems and enable future LSS missions is under way, but a test bed is needed for demonstration and evaluation of the emerging control hardware (sensors and actuators) and methodologies. In particular, the need exists for a facility which enables both large angle slewing and subsequent pointing/shape control of a variety of flexible bodies. The Air Force Astronautics Laboratory (AFAL) has conceived the Advanced Space Structures Technology Research Experiments (ASTREX) facility to fill this need. An overview of the ASTREX facility is given.

Norris, G. A.↗

Nonequilibrium DMFT + CPA for correlated disordered systems

We present a solution for the nonequilibrium dynamics of an interacting disordered system. The approach adapts the combination of the equilibrium dynamical mean-field theory and the equilibrium coherent potential approximation methods to the nonequilibrium many-body formalism, using the Kadanoff-Baym-Keldysh complex time contour, for the dynamics of interacting disordered systems away from equilibrium. We use our time domain solution to obtain the equilibrium density of states of the disordered interacting system described by the Anderson-Hubbard model, bypassing the necessity for the cumbersome analytical continuation process. We further apply the nonequilibrium solution to the interaction quench problem for an isolated disordered system. Here, the interaction is abruptly changed from zero (noninteracting system) to another constant (finite) value at which it is subsequently kept. We observe via the time dependence of the potential, kinetic, and total energies the effect of disorder on the relaxation of the system as a function of final interaction strength. Finally, the real-time approach has the potential to shed light on the fundamental role of disorder in the nonequilibrium dynamics of interacting quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Feedback-based quantum algorithms for ground state preparation

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024

Larsen, James B. (ORCID:000000020777440X)↗