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DOE OSTI2022

Ab initio calculations for void swelling bias in α - and δ -plutonium

Void swelling can develop in materials under persistent irradiation when nonequilibrium vacancy and self-interstitial populations migrate under sufficiently asymmetric interaction biases. In conventional metals, the propensity is determined to the first approximation by comparing point-defect relaxation strains. We thus present DFT-based calculations of structures and formation energies and volumes of point defects in the α and the δ phases of plutonium. Here we discuss the pros and cons of various levels of electronic structure theory: spin polarization, spin-orbit coupling, and orbital polarization. Our results show that lattice defects in δ-Pu, in contrast to most fcc metals, have surprisingly small formation volumes. Equally unexpected are the large defect formation volumes found in the low-symmetry α-Pu phase. Both these unusual properties can be satisfactorily explained from defect-induced spin/orbital moment formation and destruction in the Pu phases. Surprisingly, the point defects in α-Pu are found to induce far larger transformation of the local electronic structure than in δ-Pu. When we use the calculated defect properties to estimate the classic void swelling bias in each of the phases, we find it to be unusually small in δ-Pu but likely much larger in α-Pu. Hence, swelling rates and mechanisms can diverge dramatically between the different phases of Pu. Especially in the transient regime before the formation of large defect clusters, the swelling rate of α-Pu can reliably be expected to be much larger than δ-Pu. However, accurate forecasts over longer times will require the conventional void-swelling theory to be modified to handle the complexities presented by the different Pu phases. As a case in point, we show the possible anomalous temperature dependence of vacancy properties in δ-Pu, caused by entropic contributions from defect-induced spin-lattice fluctuations. Such complications may affect defect-defect interactions and thus alter the void swelling bias.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Quantum turbulence, superfluidity, non-Markovian dynamics, and wave function thermalization

While quantum turbulence has been addressed both experimentally (predominantly for superfluid He 4 and He 3 ) and theoretically, the dynamics of various ensembles of quantized vortices has been followed in time only until the vortices have decayed into phonons. How this “thermalization” is achieved is still an unaddressed and thus an unelucidated question. The unitary Fermi gas (UFG) is a unique quantum system, which has no classical counterpart and is of relevance to neutron stars, cold atoms, condensed-matter and nuclear many-body systems. The non-Markovian evolution of an isolated UFG is put in evidence and its entire nonequilibrium evolution can be studied theoretically within a unified theoretical framework. The initial lattice of quantum vortices and antivortices evolves through a couple of vortex tangles and excitation of Kelvin waves, where vortices cross and reconnect, until very slowly thermalization sets in. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Energy-Resolved Information Scrambling in Energy-Space Lattices

Here, weakly interacting Fermi gases simulate spin lattices in energy space, offering a rich platform for investigating information spreading and spin coherence in a large many-body quantum system. We show that the collective spin vector can be determined as a function of energy from the measured spin density, enabling general energy-space resolved protocols. We measure an out-of-time-order correlation function in this system and observe the energy dependence of the many-body coherence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

AEDGE: Atomic Experiment for Dark Matter and Gravity Exploration in Space

We propose in this White Paper a concept for a space experiment using cold atoms to search for ultra-light dark matter, and to detect gravitational waves in the frequency range between the most sensitive ranges of LISA and the terrestrial LIGO/Virgo/KAGRA/INDIGO experiments. This interdisciplinary experiment, called Atomic Experiment for Dark Matter and Gravity Exploration (AEDGE), will also complement other planned searches for dark matter, and exploit synergies with other gravitational wave detectors. We give examples of the extended range of sensitivity to ultra-light dark matter offered by AEDGE, and how its gravitational-wave measurements could explore the assembly of super-massive black holes, first-order phase transitions in the early universe and cosmic strings. AEDGE will be based upon technologies now being developed for terrestrial experiments using cold atoms, and will benefit from the space experience obtained with, e.g., LISA and cold atom experiments in microgravity. This paper is based on a submission (v1) in response to the Call for White Papers for the Voyage 2050 long-term plan in the ESA Science Programme. ESA limited the number of White Paper authors to 30. However, in this version (v2) we have welcomed as supporting authors participants in the Workshop on Atomic Experiments for Dark Matter and Gravity Exploration held at CERN: ({\tt https://indico.cern.ch/event/830432/}), as well as other interested scientists, and have incorporated additional material.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Cold atoms in space: community workshop summary and proposed road-map

We summarise the discussions at a virtual Community Workshop on Cold Atoms in Space concerning the status of cold atom technologies, the prospective scientific and societal opportunities offered by their deployment in space, and the developments needed before cold atoms could be operated in space. The cold atom technologies discussed include atomic clocks, quantum gravimeters and accelerometers, and atom interferometers. Prospective applications include metrology, geodesy and measurement of terrestrial mass change due to, e.g., climate change, and fundamental science experiments such as tests of the equivalence principle, searches for dark matter, measurements of gravitational waves and tests of quantum mechanics. We review the current status of cold atom technologies and outline the requirements for their space qualification, including the development paths and the corresponding technical milestones, and identifying possible pathfinder missions to pave the way for missions to exploit the full potential of cold atoms in space. Finally, we present a first draft of a possible road-map for achieving these goals, that we propose for discussion by the interested cold atom, Earth Observation, fundamental physics and other prospective scientific user communities, together with the European Space Agency (ESA) and national space and research funding agencies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

MAGIS-100 External Moving Mass Detection

MAGIS-100 is a quantum sensor at Fermilab that drops ultra-cold atoms down a 100m shaft to detect gravitational waves, ultralight dark matter, and explore quantum mechanics. Passing vehicles around the area can interfere with measurements. A detection system could estimate disturbances, but MAGIS-100 may be more sensitive than previously thought.

Al Bati, Adnan [Northern Illinois U.]↗

DOE OSTI2024

Superconductivity in a topological lattice model with strong repulsion

The highly tunable nature of synthetic quantum materials-both in the solid-state and cold atom contexts-invites examining which microscopic ingredients aid in the realization of correlated phases of matter such as superconductors. Recent experimental advances in moiré materials suggest that unifying the features of the Fermi-Hubbard model and quantum Hall systems creates a fertile ground for the emergence of such phases. Here, we introduce the "double Hofstadter"model, a minimal 2D lattice model that incorporates exactly these features: Time-reversal symmetry, band topology, and strong repulsive interactions. By using infinite cylinder density matrix renormalization group methods (cylinder iDMRG), we investigate the ground state phase diagram of this model. We find that it hosts an interaction-induced quantum spin Hall insulator and demonstrate that weakly hole-doping this state gives rise to a superconductor at a finite circumference, with indications that this behavior persists on larger cylinders. Further, at the aforementioned circumference, the superconducting phase is surprisingly robust to perturbations including additional repulsive interactions in the pairing channel. By developing a technique to probe the superconducting gap function in iDMRG, we phenomenologically characterize the superconductor. Namely, we demonstrate that it is formed from the weak pairing of holes atop the quantum spin Hall insulator. Furthermore, we determine the pairing symmetry of the superconductor, finding it to be p-wave-reminiscent of the unconventional superconductivity reported in experiments on twisted bilayer graphene (TBG). Motivated by this, we elucidate structural similarities and differences between our model and those of TBG in its chiral limit. Finally, to provide a more direct experimental realization, we detail an implementation of our Hamiltonian in a system of cold fermionic alkaline-earth atoms in an optical lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Quantum Dynamics of Attractive and Repulsive Polarons in a Doped MoSe 2 Monolayer

When mobile impurities are introduced and coupled to a Fermi sea, new quasiparticles known as Fermi polarons are formed. There are two interesting, yet drastically different regimes of the Fermi polaron problem: (i) the attractive polaron (AP) branch connected to pairing phenomena spanning the crossover from BCS superfluidity to the Bose-Einstein condensation of molecules and (ii) the repulsive branch (RP), which underlies the physics responsible for Stoner’s itinerant ferromagnetism. Here, we study Fermi polarons in two-dimensional systems, where many questions and debates regarding their nature persist. The model system we investigate is a doped MoSe2 monolayer. We find the observed AP-RP energy splitting and the quantum dynamics of attractive polarons agree with the predictions of polaron theory. As the doping density increases, the quantum dephasing of the attractive polarons remains constant, indicative of stable quasiparticles, while the repulsive polaron dephasing rate increases nearly quadratically. The dynamics of Fermi polarons are of critical importance for understanding the pairing and magnetic instabilities that lead to the formation of rich quantum phases found in a wide range of physical systems including nuclei, cold atomic gases, and solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Ionization state and dielectric constant in cold rarefied hydrocarbon plasmas of inertial confinement fusion

A combined approach to study cold rarefied matter is introduced that includes a semianalytical method based on the free-energy minimization and ab initio calculations based on the finite-temperature density-functional theory. The approach is used to calculate the ionization state of hydrocarbon (CH) under the shock-release conditions in inertial confinement fusion. Furthermore, the dielectric constant of CH is calculated using the Kubo-Greenwood formulation and contribution from atomic polarizabilities is found to be as important as the free-electron contribution. Using the ionization state and dielectric constant, the electron density profile in the rarefaction wave of the shock-release plasma is obtained.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

The 1 S 0 Pairing Gap in Neutron Matter

We report ab initio calculations of the S wave pairing gap in neutron matter calculated using realistic nuclear Hamiltonians that include two- and three-body interactions. We use a trial state, properly optimized to capture the essential pairing correlations, from which we extract ground state properties by means of auxiliary field diffusion Monte Carlo simulations. We extrapolate our results to the thermodynamic limit by studying the finite-size effects in the symmetry-restored projected Bardeen-Cooper-Schrieffer (PBCS) theory and compare our results to other ab initio studies done in the past. Our quantum Monte Carlo results for the pairing gap show a modest suppression with respect to the mean-field BCS values. These results can be connected to cold atom experiments, via the unitarity regime where fermionic superfluidity assumes a unified description, and they are important in the prediction of thermal properties and the cooling of neutron stars.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

The Physics of Pair-Density Waves: Cuprate Superconductors and Beyond

Herein we review the physics of pair-density wave (PDW) superconductors. We begin with a macroscopic description that emphasizes order induced by PDW states, such as charge-density wave, and discuss related vestigial states that emerge as a consequence of partial melting of the PDW order. We review and critically discuss the mounting experimental evidence for such PDW order in the cuprate superconductors, the status of the theoretical microscopic description of such order, and the current debate on whether the PDW is a mother order or another competing order in the cuprates. In addition, we give an overview of the weak coupling version of PDW order, Fulde–Ferrell–Larkin–Ovchinnikov states, in the context of cold atom systems, unconventional superconductors, and noncentrosymmetric and Weyl materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Mechanism for fluctuating pair density wave

Abstract In weakly coupled BCS superconductors, only electrons within a tiny energy window around the Fermi energy, E F , form Cooper pairs. This may not be the case in strong coupling superconductors such as cuprates, FeSe, SrTiO 3 or cold atom condensates where the pairing scale, E B , becomes comparable or even larger than E F . In cuprates, for example, a plausible candidate for the pseudogap state at low doping is a fluctuating pair density wave, but no microscopic model has yet been found which supports such a state. In this work, we write an analytically solvable model to examine pairing phases in the strongly coupled regime and in the presence of anisotropic interactions. Already for moderate coupling we find an unusual finite temperature phase, below an instability temperature T i , where local pair correlations have non-zero center-of-mass momentum but lack long-range order. At low temperature, this fluctuating pair density wave can condense either to a uniform d -wave superconductor or the widely postulated pair-density wave phase depending on the interaction strength. Our minimal model offers a unified framework to understand the emergence of both fluctuating and long range pair density waves in realistic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Direct astrophysical tests of chiral effective field theory at supranuclear densities

Recent observations of neutron stars with gravitational waves and X-ray timing provide unprecedented access to the equation of state (EoS) of cold dense matter at densities difficult to realize in terrestrial experiments. At the same time, predictions for the EoS equipped with reliable uncertainty estimates from chiral effective field theory ( x EFT) allow us to bound our theoretical ignorance. In this work, we analyze astrophysical data using a nonparametric representation of the neutron-star EoS conditioned on x EFT to directly constrain the underlying physical properties of the compact objects without introducing modeling systematics. We discuss how the data alone constrain the EoS at high densities when we condition on x EFT at low densities. Here, we also demonstrate how to exploit astrophysical data to directly test the predictions of x EFT for the EoS up to twice nuclear saturation density, in order to estimate the density at which these predictions might break down. We nd that the existence of massive pulsars, gravitational waves from GW170817, and NICER observations of PSR J0030+0451 favor x EFT predictions for the EoS up to nuclear saturation density over a more agnostic analysis by as much as a factor of 7 for the quantum Monte Carlo (QMC) calculations used in this work. While x EFT predictions using QMC are fully consistent with gravitational-wave data up to twice nuclear saturation density, NICER observations suggest that the EoS stiffens relative to these predictions at or slightly above nuclear saturation density. Additionally, for these QMC calculations, we marginalize over the uncertainty in the density at which x EFT begins to break down, constraining the radius of a 1.4M $\bigodot$ neutron star to R 1.4 = $11.40^{+1.38}_{–1.04}$ ($12.54^{+0.71}_{–0.63}$) km and the pressure at twice nuclear saturation density to p(2n sat ) = $14.2^{+18.1}_{–8.4}$ ($28.7^{+15.3}_{–15.0}$) MeV=fm 3 with massive pulsar and gravitational-wave (and NICER) data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗