Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Wave Function”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,621 records · Page 90

The Hilbert space of quantum gravity is locally finite-dimensional

In this article, we argue in a model-independent way that the Hilbert space of quantum gravity is locally finite-dimensional. In other words, the density operator describing the state corresponding to a small region of space, when such a notion makes sense, is defined on a finite-dimensional factor of a larger Hilbert space. Because quantum gravity potentially describes superpositions of different geometries, it is crucial that we associate Hilbert-space factors with spatial regions only on individual decohered branches of the universal wave function. We discuss some implications of this claim, including the fact that quantum-field theory cannot be a fundamental description of nature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The vecro hypothesis

We consider three fundamental issues in quantum gravity: (a) the black hole information paradox (b) the unboundedness of entropy that can be stored inside a black hole horizon (c) the relation between the black hole horizon and the cosmological horizon. With help from the small corrections theorem, we convert each of these issues into a sharp conflict. We then argue that all three conflicts can be resolved by the following hypothesis: the vacuum wave functional of quantum gravity contains a “vecro” component made of virtual fluctuations of configurations of the same type that arise in the fuzzball structure of black hole microstates. Further, if we assume that causality holds to leading order in gently curved spacetime, then we must have such a vecro component in order to resolve the above conflicts. The term vecro stands for “Virtual Extended Compression-Resistant Object”, and characterizes the nature of the vacuum fluctuations that resolve the puzzles. It is interesting that puzzle (c) may relate the role of quantum gravity in black holes to observations in the sky.

Astronomy & Astrophysics↗

Jefferson Lab at 12 GeV: The Science Program

Jefferson Lab’s upgrade of its Continuous Electron Beam Accelerator Facility (CEBAF) has recently been completed. The project involved an upgrade of the accelerator to achieve a maximum beam energy of 12 GeV and the construction of a fourth end station, Experimental Hall D, as well as new detector equipment for two of the three existing halls (A, B, and C). A broad experimental program has been developed to map the nucleon’s intrinsic quark distributions in transverse space and in longitudinal momentum through measurements of deeply exclusive and semi-inclusive processes, and to probe color confinement by studying the spectrum of hadrons with active gluon degrees of freedom in the wave function. Other programs include the forward parton distribution function at large quark momentum fraction χ, the quark and gluon polarized distribution functions, measurements of electromagnetic form factors of the nucleon ground state and of nucleon resonance transitions at short distances, and the exploration of physics beyond the Standard Model in high-precision parity-violating processes and in the search for signals of dark matter. The higher beam energy is also suitable for exploration of quark hadronization properties using the nucleus as a laboratory. This review highlights major areas of hadron and nuclear science that will be the focus of the first 5 years of operation.

3D imaging↗

Imaging Quantum Vortices in Superfluid Helium Droplets

Free superfluid helium droplets constitute a versatile medium for a diverse range of experiments in physics and chemistry that extend from studies of the fundamental laws of superfluid motion to the synthesis of novel nanomaterials. In particular, the emergence of quantum vortices in rotating helium droplets is one of the most dramatic hallmarks of superfluidity and gives detailed access to the wave function describing the quantum liquid. This review provides an introduction to quantum vorticity in helium droplets, followed by a historical account of experiments on vortex visualization in bulk superfluid helium and a more detailed discussion of recent advances in the study of the rotational motion of isolated, nano- to micrometer-scale superfluid helium droplets. Ultrafast X-ray and extreme ultraviolet scattering techniques enabled by X-ray free-electron lasers and high-order harmonic generation in particular have facilitated the in situ detection of droplet shapes and the imaging of vortex structures inside individual, isolated droplets. Here, new applications of helium droplets ranging from studies of quantum phase separations to mechanisms of low-temperature aggregation are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient Band-to-Trap Tunneling Model Including Heterojunction Band Offset

In this paper, we present an efficient band-to-trap tunneling model based on the Schenk approach, in which an analytic density-of-states (DOS) model is developed based on the open boundary scattering method. The new model explicitly includes the effect of heterojunction band offset, in addition to the well-known field effect. Its analytic form enables straightforward implementation into TCAD device simulators. It is applicable to all one-dimensional potentials, which can be approximated to a good degree such that the approximated potentials lead to piecewise analytic wave functions with open boundary conditions. The model allows for simulating both the electric-field-enhanced and band-offset-enhanced carrier recombination due to the band-to-trap tunneling near the heterojunction in a heterojunction bipolar transistor (HBT). Simulation results of an InGaP/GaAs/GaAs NPN HBT show that the proposed model predicts significantly increased base currents, due to the hole-to-trap tunneling enhanced by the emitter-base junction band offset. Finally, the results compare favorably with experimental observation.

42 ENGINEERING↗

Flexible configuration-interaction shell-model many-body solver

BIGSTICK Is a flexible configuration-Interaction open-source shell-model code for the many-fermion problem In a shell model (occupation representation) framework. BIGSTICK can generate energy spectra, static and transition one-body densities, and expectation values of scalar operators. Using the built-in Lanczos algorithm one can compute transition probabflity distributions and decompose wave functions into components defined by group theory.

Johnson, CalvinW.↗

Chemist

Chemist is a domain-specific language targeting the QC domain. Chemist has been developed focusing on performance and user-friendliness. Using Chemist, QC tasks are defined using familiar domain concepts such as molecules, wave functions, and operators. The domain objects are hierarchical to ensure a systematic encapsulation of information. Key features of Chemist include: extensibility, the ability to alias existing data, and the ability to succinctly define many common QC tasks.

Richard, Ryan [Ames Laboratory (AMES), Ames, IA (U↗

VQE method: a short survey and recent developments

Abstract The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.

Fedorov, Dmitry A. (ORCID:0000000316598580)↗

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science

Abstract The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of effective (or downfolded) Hamiltonians in small-dimensionality sub-space, usually identified with the so-called active space, of the entire Hilbert space. The resulting downfolded Hamiltonians integrate out the external (out-of-active-space) Fermionic degrees of freedom from the internal (in-the-active-space) parameters of the wave function, which can be determined as components of the eigenvectors of the downfolded Hamiltonians in the active space. This paper will discuss the extension of non-Hermitian (associated with standard CC formulations) and Hermitian (associated with the unitary CC approaches) downfolding formulations to composite quantum systems commonly encountered in materials science and chemistry. The non-Hermitian formulation can provide a platform for developing local CC approaches, while the Hermitian one can serve as an ideal foundation for developing various quantum computing applications based on the limited quantum resources. We also discuss the algorithm for extracting the semi-analytical form of the inter-electron interactions in the active spaces.

Bauman, Nicholas P.↗

Non-exponential and oscillatory decays in quantum mechanics

The quantum-mechanical theory of the decay of unstable states is revisited. We show that the decay is non-exponential both in the short-time and long-time limits using a more physical definition of the decay rate than the one usually used. We report results of numerical studies based on Winter's model that may elucidate qualitative features of exponential and non-exponential decay more generally. The main exponential stage is related to the formation of a radiating state that maintains the shape of its wave function with exponentially diminishing normalization. We discuss situations where the radioactive decay displays several exponents. The transient stages between different regimes are typically accompanied by interference of various contributions and resulting oscillations in the decay curve. The decay curve can be fully oscillatory in a two-flavor generalization of Winter's model with some values of the parameters. We consider the implications of that result for models of the oscillations reported by GSI.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Double band inversion in the topological phase transition of Ge 1-x Sn x alloys

Abstract We use first-principles simulation and alchemical mixing approximation to reveal the unique double band inversion and topological phase transition in Ge Sn alloys. Wave function parity, spatial charge distribution and surface state spectrum analyses suggest that the band inversion in Ge Sn is relayed by its first valence band. As the system evolves from Ge to -Sn, its conduction band moves down, and inverts with the first and the second valence bands consecutively. The first band inversion makes the system nontrivial, while the second one does not change the topological invariant of the system. Both of the band inversions yield surface modes spanning the individual inverted gaps, but only the surface mode in the upper gap associates with the nontrivial nature of tensile-strained -Sn.

Physics↗

Maskless Fourier transform holography

Fourier transform holography is a lensless imaging technique that retrieves an object's exit-wave function with high fidelity. It has been used to study nanoscale phenomena and spatio-temporal dynamics in solids, with sensitivity to the phase component of electronic and magnetic textures. However, the method requires an invasive and labor-intensive nanopatterning of a holography mask directly onto the sample, which can alter the sample properties, forces a fixed field-of-view, and leads to a low signal-to-noise ratio at high resolution. In this work, we propose using wavefront-shaping diffractive optics to create a structured probe with full control of its phase at the sample plane, circumventing the need for a mask. We demonstrate in silico that the method can image nanostructures and magnetic textures and validate our approach with a visible light-based experiment. The method enables investigation of a plethora of phenomena at the nanoscale including magnetic and electronic phase coexistence in solids, with further uses in soft and biological matter research.

Keskinbora, Kahraman↗

Learning the ground state of a non-stoquastic quantum Hamiltonian in a rugged neural network landscape

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate systematically the performance of a class of universal variational wave-functions based on artificial neural networks, by considering the frustrated spin- 1/2 1 / 2 J_1-J_2 J 1 − J 2 Heisenberg model on the square lattice. Focusing on neural network architectures without physics-informed input, we argue in favor of using an ansatz consisting of two decoupled real-valued networks, one for the amplitude and the other for the phase of the variational wavefunction. By introducing concrete mitigation strategies against inherent numerical instabilities in the stochastic reconfiguration algorithm we obtain a variational energy comparable to that reported recently with neural networks that incorporate knowledge about the physical system. Through a detailed analysis of the individual components of the algorithm, we conclude that the rugged nature of the energy landscape constitutes the major obstacle in finding a satisfactory approximation to the ground state wavefunction, and prevents learning the correct sign structure. In particular, we show that in the present setup the neural network expressivity and Monte Carlo sampling are not primary limiting factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Remote detectability from entanglement bootstrap I: Kirby’s torus trick

Remote detectability is often taken as a physical assumption in the study of topologically ordered systems, and it is a central axiom of mathematical frameworks of topological quantum field theories. We show under the entanglement bootstrap approach that remote detectability is a necessary property; that is, we derive it as a theorem. Starting from a single wave function on a topologically-trivial region satisfying the entanglement bootstrap axioms, we can construct states on closed manifolds. The crucial technique is to immerse the punctured manifold into the topologically trivial region and then heal the puncture. This is analogous to Kirby’s torus trick. We then analyze a special class of such manifolds, which we call pairing manifolds. For each pairing manifold, which pairs two classes of excitations, we identify an analog of the topological S S -matrix. This pairing matrix is unitary, which implies remote detectability between two classes of excitations. These matrices are in general not associated with the mapping class group of the manifold. As a by-product, we can count excitation types (e.g., graph excitations in 3+1d). The pairing phenomenon occurs in many physical contexts, including systems in different dimensions, with or without gapped boundaries. We provide a variety of examples to illustrate its scope.

Shi, Bowen (ORCID:0000000206899964)↗

Spatial Instabilities, Homogeneities and Proximity Effects: Highly Correlated Metals

We have developed a superconducting scanning tunneling microscope (S-STM) which is a direct and local probe of the pair wave function of superconducting materials via the Josephson effect and quasiparticle spectra via scanning tunneling spectroscopy (STS). The novel feature of this device is a superconducting tip (Pb with an Ag capping layer) in close proximity to a superconducting sample to form a superconductor-insulator-superconductor (SIS) tunnel junction. The operation of this S-STM has been verified in the observation of Josephson tunneling between the tip and different sample systems including Pb films and NbSe 2 . At the experimental base temperature (T=2.1K) and large junction normal resistance (R N > 10 4 Ω) the phase is not locked in the washboard potential, but is excited thermally to be diffusive.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Focused Research Group in Correlated Electron and Complex Materials

While the remarkable physical properties of correlated and complex electronic materials hold great promise for technological applications, one of the key values of the research in this field is its profound impact on fundamental physics. The transition metal oxides, pnictides, and chalcogenides play a key role and occupy an especially important place in this field. The basic reason is that the outer shell of transition metals contains the atomic d-orbitals that have small spatial extent, but not too small to behave as localized orbtials. These d-electrons therefore have a small wave function overlap in a solid, e.g. in an octahedral environment, and form energy bands that are relatively narrow and on the scale of the short-range intra-atomic Coulomb repulsion (Hubbard U). In this intermediate correlation regime lies the challenge of the many-body physics responsible for new and unconventional physical properties. The study of correlated electron and complex materials represents both the challenge and the vitality of condensed matter and materials physics and often demands close collaborations among theoretical and experimental groups with complementary techniques. Our team has a track record and a long-term research goal of studying the unusual complexities and emergent behaviors in the charge, spin, and orbital sectors of the transition metal compounds in order to gain basic knowledge of the quantum electronic states of matter. During the funding period of this grant, the team continued their close collaborations between theory, angle-resolved photoemission spectroscopy, and scanning tunneling microscopy and made significant progress and contributions to the field of iron-based superconductors, copper-oxide high-temperature superconductors, triangular lattice transition metal oxide cobaltates, strontium ruthenates, spin orbital coupled iridates, as well as topological insulators and other topological quantum states of matter. These results include both new discoveries and the resolution to outstanding and unresolved issues. It should be emphasized that the DOE funding provided the crucial support for the close and meaningful collaborations of the focused research group that go far beyond simply putting the research papers from each group together. Indeed, the majority of the publications involved multiple PIs and collaborations between theory and experiments.

36 MATERIALS SCIENCE↗

Development of a synchrotron radiation beam monitor for the Integrable Optics Test Accelerator

Nonlinear integrable optics applied to beam dynamics may mitigate multi-particle instabilities, but proof of principle experiments have never been carried out. The Integrable Optics Test Accelerator (IOTA) is an electron and proton storage ring currently being built at Fermilab, which addresses tests of nonlinear lattice elements in a real machine in addition to experiments on optical stochastic cooling and on the single-electron wave function. These experiments require an outstanding control over the lattice parameters, achievable with fast and precise beam monitoring systems. This work describes the steps for designing and building a beam monitor for IOTA based on synchrotron radiation, able to measure intensity, position and transverse cross-section beam.

43 PARTICLE ACCELERATORS↗

Low momentum transfer measurements of pion electroproduction and virtual Compton scattering at the Delta resonance

Non-spherical components of the nucleon wave function are measured through p(e,e'p)π 0 experiment at the Δ + (1232) resonance for Q 2 = 0.04, 0.09, and 0.13 (GeV=c) 2 utilizing the Jefferson National Accelerator Facility (JLab) pulsed beam and Hall A spectrometers. The new data extend the measurements of the Coulomb quadrupole amplitude to the lowest momentum transfer ever reached. The results disagree with predictions of constituent quark models and are in reasonable agreement with dynamical calculations that include pion cloud effects, chiral effective field theory and lattice calculations. The reported measurements indicate that improvement is required to the theoretical calculations and provide valuable input that will allow their refinements. The Coulomb to magnetic multipole ratio (CMR) and generalized polarizability (GP) of the nucleon are also measured through virtual Compton scattering (VCS) for Q 2 = 0.2(GeV=c) 2 utilizing the Mainz Microtron (MAMI) continuous beam and A1 spectrometers. This data represents the first low Q 2 GP measurement at the Δ + (1232) resonance. The GP measurement explores a region where previous data and theoretical calculations disagree. The CMR measurement will be the first VCS extraction to compare with world data generated through pion electroproduction. The Dispersion Relation (DR) model used for the VCS extraction provides a new theoretical framework for the data signal and backgrounds that is largely independent from the pion electroproduction models. The independence of the DR from the traditional models provides a strong crosscheck on the ability of the models to isolate the data signal.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗