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DOE OSTI2024

Utilizing Quantum Cascade Lasers for Ultranarrow Velocity Resolution and Quantum-State Selectivity in Molecular Beam Scattering and Spectroscopy

Here, we demonstrate the capability of a narrow linewidth quantum cascade laser (QCL) to selectively excite a very narrow velocity range of nitric oxide (σ ≤ 7(3) m/s) with a pure ro-vibrational quantum state. By implementing a counter-propagating geometry, the molecules are selectively excited according to the Doppler shift of the ro-vibrational transition frequency such that the velocity width associated with the excited molecules depends only on the QCL linewidth. We demonstrate a velocity distribution limited by the effective linewidth of our free-running QCL (Γ = 3.2 MHz). Our development provides a cost-effective, flexible approach to resolve quantum-state selective chemical dynamics with excellent velocity resolution in a wide variety of molecules with infrared-active transitions. This technique has been formulated to provide ultrahigh collisional energy resolution in molecular beams to delineate final quantum-state product pairs in studies of molecular collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Generalized entropy of gravitational fluctuations

The corrections to holographic entanglement entropy from bulk quantum fields in a classical gravitational background are now well understood. They lead, in particular, to unitary Page curves for evaporating black holes. However, the correct treatment of quantum fluctuations of the metric, including graviton excitations, is a longstanding problem. We provide a gauge-invariant prescription for the generalized entropy of gravitons in anti-de Sitter space in terms of areas and bulk entanglement entropy, generalizing the quantum extremal surface prescription to accommodate fluctuations in the semiclassical spacetime geometry. This task requires a careful treatment of the area operator on the graviton Hilbert space and the definition of a “quantum extremal gauge” in which the extremal surface is unperturbed. It also requires us to determine the correct vacuum modular Hamiltonian for the graviton field, which we fix by requiring that it doesn’t contain a boundary term in extremal gauge. We check our prescription with an explicit computation of the vacuum-subtracted generalized entropy of states containing a graviton in an AdS-Rindler background. Our results exactly match vacuum-subtracted von Neumann entropies for stress-tensor excited states in holographic conformal field theory with d > 2 dimensions. We also use covariant phase space techniques to give a partial proof of our prescription when the entanglement wedge for the background spacetime has a bifurcate Killing horizon. Along the way, we identify a class of perturbative graviton states that have parametrically larger generalized entropy, in the small G N expansion, than any low-energy excitations of an ordinary quantum field.

1/N expansion↗

DOE OSTI2020

Strings in irrelevant deformations of AdS 3 /CFT 2

We generalize our recent analysis [1] of probe string dynamics to the case of general single-trace TT¯,JT¯ and TJ¯ deformations. We show that in regions in coupling space where the bulk geometry is smooth, the classical trajectories of such strings are smooth and approach the linear dilaton boundary at either the far past or the far future. These trajectories give rise to quantum scattering states with arbitrarily high energies. When the bulk geometry has closed timelike curves (CTC’s), the trajectories are singular for energies above a critical value E c . This singularity occurs in the region with CTC’s, and the value of E c agrees with that read off from the dual boundary theory for all values of the couplings and charges.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Particles and Fields via String Compactification

The project involved an integrated program of research which focused on the use of the extra-dimensional geometry of string theory as a tool in understanding a variety of phenomena in quantum field theory. This was used to construct and study new examples of quantum field theories with the eventual aim of also using these results to develop new particle physics and cosmology scenarios. The research involved the development of new methods for constructing such extra-dimensional geometries, and also the study of the resulting quantum field theories generated by this process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Motif magnetism and quantum many-body scars

In this work, we generally expect quantum systems to thermalize and satisfy the eigenstate thermalization hypothesis (ETH), which states that finite-energy-density eigenstates are thermal. However, some systems, such as many-body localized systems and systems with quantum many-body scars, violate ETH and have high-energy athermal eigenstates. In systems with scars, most eigenstates thermalize, but a few atypical scar states do not. Scar states can give rise to a periodic revival when time-evolving particular initial product states, which can be detected experimentally. Recently, a family of spin Hamiltonians was found with magnetically ordered three-colored eigenstates that are quantum many-body scars [Lee et al., Phys. Rev. B 101, 241111(R) (2020)]. These models can be realized in any lattice that can be tiled by triangles, such as the triangular or kagome lattices, and have been shown to have close connections to the physics of quantum spin liquids in the Heisenberg kagome antiferromagnet. In this paper, we introduce a generalized family of n-colored Hamiltonians with “spiral colored” eigenstates made from n-spin motifs such as polygons or polyhedra. We show how these models can be realized in many different lattice geometries and provide numerical evidence that they can exhibit quantum many-body scars with periodic revivals that can be observed by time-evolving simple product states. The simple structure of these Hamiltonians makes them promising candidates for future experimental studies of quantum many-body scars.

36 MATERIALS SCIENCE↗

DOE OSTI2023

AdS 2 holography and effective QFT

We discuss AdS 2 quantum gravity from an unconventional perspective that emphasizes bulk geometry. In our approach, AdS 2 has no boundary, there are no divergences that require renormalization, and the dilaton of JT-gravity can be omitted altogether. The result is the standard Schwarzian theory. However, it may be advantageous that our derivation just relies on conventional AdS/CFT correspondence and effective quantum field theory. For example, it clarifies the symmetry breaking pattern. It also puts the non-compact AdS 2 topology on the same footing as compact Riemann surfaces.

2D Gravity↗

DOE OSTI2023

Effective field theories as Lagrange spaces

We present a formulation of scalar effective field theories in terms of the geometry of Lagrange spaces. The horizontal geometry of the Lagrange space generalizes the Riemannian geometry on the scalar field manifold, inducing a broad class of affine connections that can be used to covariantly express and simplify tree-level scattering amplitudes. Meanwhile, the vertical geometry of the Lagrange space characterizes the physical validity of the effective field theory, as a torsion component comprises strictly higher-point Wilson coefficients. Imposing analyticity, unitarity, and symmetry on the theory then constrains the signs and sizes of derivatives of the torsion component, implying that physical theories correspond to a special class of vertical geometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Integrability and Symmetries of Classical Geometries

This research project had two major objectives: advancement in constructing quantum theory of gravity and analytical understanding of strongly--coupled systems. The project contributed to advancing quantum theory of gravity by studying dynamics of black holes. A comprehensive analysis of excitations of rotating black holes in arbitrary dimensions has been performed, all solutions of Maxwell's equations as well as their generalizations to arbitrary p-forms in such backgrounds have been constructed, and a significant progress towards extension of these results to gravitational waves has been made. The project also advanced theoretical understanding of strongly-coupled theories by analyzing properties of exactly-solvable (integrable) models. A new method for solving dynamical equations for various fields in a large class of backgrounds without isometries has been developed, and this technique was used to extract spectra of supergravity modes in several integrable string theories. The analytical structure of large classes of integrable string theories has also been analyzed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Geometry, Disorder and Phase Transitions in Topological States of Matter

The quantum Hall effect is the birthplace of topological states of matter, a major theme at the forefront of condensed matter physics in the past two decades. The fractional quantum Hall (FQH) effect revolutionized our understanding of phases of electronic matter. FQH states support exotic fractionally charged excitations that obey Abelian or non-Abelian fractional statistics, which are topological excitations that result from the underlying topological order. During this project, our group discovered a previously unrecognized geometric degree of freedom of incompressible FQH states and studied that for a variety of gapped FQH states. We brought this new concept into direct contact with experiments for the first time by generalizing it to Fermi-liquid states of composite fermions. Using the newly formulated powerful infinite Density Matrix Renormalization Group method, our numerical calculations yielded a parameter free prediction that was found to be in excellent agreement with experimental findings on electron systems in semiconductor heterostructures. In parallel, we performed extensive numerical studies on different, competing phases at various Landau level filling factors, and quantum phase transitions that result from such a competition, e.g. Abelian-non-Abelian phase transitions in bilayer systems. We studied geometrical excitations dubbed “gravitons” (because of their analogy with excitations in the theory of gravitation) and ways to excite and detect them, and explored how they couple with topological excitations. In graphene-based chiral materials, we realized the ability to tune through different incompressible and compressible states in a single Landau level, and found appropriate experimental parameters for the exploration of universal Luttinger liquid behavior not obtained in semiconductor-based electron systems. We showed that topological systems had a very different response from nontopological systems to strong disorder (many-body localization) as well as periodic drives.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Applicability of semiclassical theories in the strong-field plasma regime

For many purposes, classical plasma dynamics models can work surprisingly well, even for strong electromagnetic fields, approaching the Schwinger critical fields, and high frequencies, approaching the Compton frequency. However, the applicability of classical models tends to depend rather sensitively on the details of the problem. In the present paper, we study the specific case of plasma oscillations to draw a line between the classical and quantum relativistic regimes. Here, due to the field geometry of study, mechanisms like radiation reaction and Breit-Wheeler pair production, which tend to be important for electromagnetic fields, are rather effectively suppressed. Moreover, we find that the polarization current due to the electron spin is generally negligible for frequencies below the Compton frequency, compared with the free current, whose magnitude is well-approximated by the classical Vlasov theory. However, we show that pair creation due to the Schwinger mechanism can sometimes be important for surprisingly modest field strengths, of the order of 10% of the critical field or even smaller. A rough guideline for when the classical Vlasov theory can be applied is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Geometry-kinematics duality

Not Available

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Microstructural Topology as a Prescriptor for Quantum Coherence: Towards A Unified Framework for Decoherence in Superconducting Qubits

In superconducting quantum circuits, decoherence improvements are frequently obtained through process interventions that simultaneously modify surface chemistry, microstructural topology, and device geometry, leaving mechanistic attribution structurally underdetermined. Predictive materials engineering requires measurable structural statistics to be separated from geometry-dependent coupling coefficients into independently testable factors. We introduce the concept of classical and quantum microstructure. In that context, we formulate a channel-wise separable framework for decoherence in superconducting transmon qubits in which each loss channel is described by a reduced prescriptor. Here, a channel-specific microstructural state variable is determined independently of device geometry, and a geometry-dependent coupling functional is computable from field solutions without reference to surface chemistry. We derive this product form from a spatially resolved kernel representation and establish a perturbative separability criterion that defines the regime where independent variation of the variables is valid. The framework specifies five prescriptor classes for dominant loss pathways in transmon-class devices. Falsifiability is operationalized through a pre-committed 2x2 experimental protocol in which the variables must satisfy independent ratio checks within propagated uncertainty. A Minimum-Dataset Specification standardizes reporting for cross-laboratory inference. Part I establishes the conceptual and mathematical architecture; coordinated experimental validation is reserved for Part II.

Dravid, Vinayak P. [Northwestern U.]↗

DOE OSTI2021

Electromagnetic and gravitational interactions from Lagrangian mechanics

Highlights: • Background Maxwell and Einstein fields are universal features of Lagrangian systems. • The Lagrangian function is promoted to a dynamic field. • The Einstein–Maxwell theory is derived from Lagrangian mechanics. Background fields of electromagnetic and gravitational type emerge in the low kinetic energy limit of any regular Lagrangian system and, in particular, in the corresponding limit of any spacetime theory in which the free motion of test particles is described by an unspecified regular Lagrangian. Electromagnetic and gravitational type interactions are therefore a universal feature of low kinetic energy Lagrangian systems. These background interactions can be consistently turned into dynamic Einstein–Maxwell fields by promoting the Lagrangian function to a dynamic scalar field on the tangent bundle of the configuration space. Accordingly, Einstein–Maxwell theory can be deduced from the assumption that the motion of elementary test particles in spacetime is described by Lagrangian mechanics. For higher kinetic energy-type values, identified with the square of the invariant mass of the particle, the Lagrangian induces higher rank interactions that seem however too weak to have been detected in spacetime physics, but which might prove relevant at the Planck scale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Tunable Geometries in Sparse Clifford Circuits

We investigate the emergence of different effective geometries in stochastic Clifford circuits with sparse coupling. By changing the probability distribution for choosing two-site gates as a function of distance, we generate sparse interactions that either decay or grow with distance as a function of a single tunable parameter. Tuning this parameter reveals three distinct regimes of geometry for the spreading of correlations and growth of entanglement in the system. We observe linear geometry for short-range interactions, treelike geometry on a sparse coupling graph for long-range interactions, and an intermediate fast scrambling regime at the crossover point between the linear and treelike geometries. This transition in geometry is revealed in calculations of the subsystem entanglement entropy and tripartite mutual information. We also study emergent lightcones that govern these effective geometries by teleporting a single qubit of information from an input qubit to an output qubit. These tools help to analyze distinct geometries arising in dynamics and correlation spreading in quantum many-body systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

Numerical Studies of Properties of Confined Helium

We carry out state of the art simulations of properties of confined liquid helium near the superfluid transition to a degree of accuracy which allows to make predictions for the outcome of fundamental physics experiments in microgravity. First we report our results for the finite-size scaling behavior of heat capacity of superfluids for cubic and parallel-plate geometry. This allows us to study the crossover from zero and two dimensions to three dimensions. Our calculated scaling functions are in good agreement with recently measured specific heat scaling functions for the above mentioned geometries. We also present our results of a quantum simulation of submonolayer of molecular hydrogen deposited on an ideal graphite substrate using path-integral quantum Monte Carlo simulation. We find that the monolayer phase diagram is rich and very similar to that of helium monolayer. We are able to uncover the main features of the complex monolayer phase diagram, such as the commensurate solid phases and the commensurate to incommensurate transition, in agreement with the experiments and to find some features which are missing from the experimental analysis.

Manousakis, Efstratios↗

NASA NTRS2011

The Beginning and End of the Universe

Cosmology is the scientific study of how the Universe began more than 13 billion years ago, how its properties have changed from that time to the present, and what its eventual fate might be. Observational cosmology uses telescopes like the Hubble to reach back in time to find the faint echoes of the Big Bang. In this lecture, I will give an overview of cosmology, highlighting the very rapid progress this field has made in the last decade, and the role that NASA space telescopes have played and will continue to play in the years to come. I will then focus on two of the most intriguing of those recent discoveries: inflation and dark energy. Our universe began in an extremely rapid accelerated expansion, called inflation, which removed all traces anything that may have existed before, flattened the geometry of space-time, and turned microscopic quantum fluctuations into the largest structures in the universe. At the present time, more than 70% of the mass-energy in the Universe consists of a mysterious substance called dark energy. The dark energy causes the expansion of the Universe to accelerate, and he will discuss the ways that we might be able to measure that acceleration more accurately, revealing the nature of the dark energy and learning the eventual fate of the Universe.

Gardner, Jonathan P.↗

NASA NTRS2012

The Beginning and End of the Universe

Gardner, Jonathan P.↗

DOE OSTI2024

Protonation of histidine rings using quantum-mechanical methods

Histidine can be protonated on either or both of the two N atoms of the imidazole moiety. Each of the three possible forms occurs as a result of the stereochemical environment of the histidine side chain. In an atomic model, comparing the possible protonation states in situ, looking at possible hydrogen bonding and metal coordination, it is possible to predict which is most likely to be correct. A more direct method is described that uses quantum-mechanical methods to calculate, also in situ, the minimum geometry and energy for comparison, and therefore to more accurately identify the most likely protonation state.

Histidine↗