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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bell inequalities in 2-2 scattering

We consider Bell inequalities in 2-2 scattering of photons, gravitons, fermions, and pions. We choose measurement settings that give maximum Bell violation for maximally entangled states and calculate the relevant Bell inequalities for these processes. For photon scattering at low energies, quantum electrodynamics exhibits Bell violation for all scattering angles except for a small transverse region. This leads to a fine-tuning problem. Incorporating a light axion/axionlike particle removes the fine-tuning problem and constrains the axion-coupling–axion-mass parameters. Allowing for graviton exchange and demanding Bell violation in photon scattering, we find that the weak-gravity conjecture is satisfied. Quantum gravity effects on axion coupling is discussed. For 2-2 graviton scattering, we find that CEMZ bounds allow for, at most, small Bell violations. Restriction on the Weinberg angle is found by demanding Bell violation in Bhabha scattering. We use recent $S$-matrix bootstrap data for pions and photons to study the Bell parameter in the space of allowed $S$-matrices. In the photon case, we study the Bell parameters as a function of energy and find support for the effective field theory observations. We discuss Bell parameter for pion $S$-matrices, which are qutrits. For pions, we find that there is a minimization of a suitable Bell parameter for $S$-matrices which exhibit Regge behavior.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Freezing-in gravitational waves

The thermal plasma in the early Universe produced a stochastic gravitational wave (GW) background, which peaks today in the microwave regime and was dubbed the cosmic gravitational microwave background (CGMB). In previous works, only single graviton production processes that contribute to the CGMB have been considered. Here, we also investigate graviton pair production processes and show that these can lead to a significant contribution if the ratio between the maximum temperature and the Planck mass, T max / m p , divided by the internal coupling in the heat bath is large enough. As the dark matter freeze-in production mechanism is conceptually very similar to the GW production mechanism from the primordial thermal plasma, we refer to the latter as “GW freeze-in production.” We show that quantum gravity effects appear in single graviton production and are smaller by a factor ( T max / m p ) 2 than the leading order contribution. In our work, we explicitly compute the CGMB spectrum within a scalar model with quartic interaction. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

Ruling out Color Transparency in Quasielastic 12 C(e,e'p) up to Q 2 of 14.2 (GeV/c) 2

Quasielastic $^{12}$C$(e,e'p)$ scattering was measured at space-like 4-momentum transfer squared $Q^2$ = 8, 9.4, 11.4, and 14.2 (GeV/c)$^2$, the highest ever achieved to date. Nuclear transparency for this reaction was extracted by comparing the measured yield to that expected from a plane-wave impulse approximation calculation without any final state interactions. Additionally, the measured transparency was consistent with no $Q^2$ dependence, up to proton momenta of 8.5 GeV/c, ruling out the quantum chromodynamics effect of color transparency at the measured $Q^2$ scales in exclusive $(e,e'p)$ reactions. Furthermore, these results impose strict constraints on models of color transparency for protons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Hybrid SO(10) Axion Model without Quality Problem

Invisible axion models that solve the strong C P problem via the Peccei-Quinn (PQ) mechanism typically have a quality problem that arises from quantum gravity effects which violate all global symmetries. These models therefore require extreme fine-tuning of parameters for consistency. We present a new solution to the quality problem in a unified SO ( 10 ) × U ( 1 ) a gauge model, where U ( 1 ) a is an anomaly free axial gauge symmetry. PQ symmetry emerges as an accidental symmetry in this setup, which admits a PQ breaking scale as large as 7 × 10 11 GeV , allowing for the axion to be the cosmological dark matter. We call this a hybrid axion model due to its unique feature that it interpolates between the popular KSVZ and DFSZ axion models. Its predictions for the experimentally measurable axion couplings to the nucleon and electron are distinct from those of the usual models, a feature that can be used to test it. Furthermore, the model has no domain wall problem and it provides a realistic and predictive framework for fermion masses and mixings. Published by the American Physical Society 2025

Babu, K. S. (ORCID:0000000161475155)↗
DOE OSTI2022

Role of the third dimension in searching for Majorana fermions in α-RuCl 3 via phonons

Understanding phonons in α-RuCl 3 is critical to analyze the controversy around the observation of the half-integer thermal quantum Hall effect. While many studies have focused on the magnetic excitations in α-RuCl 3 , its vibrational excitation spectrum has remained relatively unexplored. We investigate the phonon structure of α-RuCl 3 via inelastic neutron-scattering experiments and density-functional-theory calculations. Our results show excellent agreement between experiment and first-principles calculations. After validating our theoretical model, we extrapolate the low-energy phonon properties. We find that the phonons in α-RuCl 3 that either propagate or vibrate in the out-of-plane direction have significantly reduced velocities and therefore have the potential to dominate the observability of the elusive half-integer plateaus in the thermal Hall conductance. In addition, we use low-energy interlayer phonons to resolve the low-temperature stacking structure of our large crystal of α-RuCl 3 , which we find to be consistent with that of the R$\bar{3}$ space group, in agreement with neutron diffraction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Weak localization and universal conductance fluctuations in large-area twisted bilayer graphene

We study diffusive magnetotransport in highly 𝑝-doped large-area twisted bilayer graphene in 1∘, 7∘, 9∘, and 20∘ samples. All samples exhibit weak localization, from which we extract the phase coherence length and intervalley scattering lengths, and from that determine that dephasing is caused by electron-electron scattering and intervalley scattering is caused by point defects. We observe signatures of universal conductance fluctuations in the 9∘ sample, which has high mobility and is near the van Hove singularity. Further improvements in sample quality and applications to large-area moiré materials will open new avenues to observe quantum interference effects.

Talkington, Spenser [University of Pennsylvania]↗
DOE OSTI2021

Thermodynamics and kinetics of H adsorption and intercalation for graphene on 6 H -SiC(0001) from first-principles calculations

Previous experimental observations for H intercalation under graphene on SiC surfaces motivate the clarification of configuration stabilities and kinetic processes related to intercalation. From first-principles density-functional-theory calculations, we analyze H adsorption and intercalation for graphene on a 6H-SiC(0001) surface, where the system includes two single-atom-thick graphene layers: the top-layer graphene (TLG) and the underling buffer-layer graphene (BLG) above the terminal Si layer. Our chemical potential analysis shows that in the low-H coverage regime (described by a single H atom within a sufficiently large supercell), intercalation into the gallery between TLG and BLG or into the gallery underneath BLG is more favorable thermodynamically than adsorption on top of TLG. However, intercalation into the gallery between TLG and BLG is most favorable. We obtain energy barriers of about 1.3 and 2.3 eV for a H atom diffusing on and under TLG, respectively. From an additional analysis of the energy landscape in the vicinity of a step on the TLG, we assess how readily one guest H atom on the TLG terrace can directly penetrate the TLG into the gallery between TLG and BLG versus crossing a TLG step to access the gallery. Finally, we also perform density functional theory calculations for higher H coverages revealing a shift in favorability to intercalation of H underneath BLG and characterizing the variation with H coverage in interlayer spacings.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Swap motion–directed twinning of nanocrystals

Twinning frequently occurs in nanocrystals during various thermal, chemical, or mechanical processes. However, the nucleation and propagation mechanisms of twinning in nanocrystals remain poorly understood. Through in situ atomic resolution transmission electron microscopy observation at millisecond temporal resolution, we show the twinning in Pb individual nanocrystals via a double-layer swap motion where two adjacent atomic layers shift relative to one another. The swap motion results in twin nucleation, and it also serves as a basic unit of movement for twin propagation. Our calculations reveal that the swap motion is a phonon eigenmode of the face-centered cubic crystal structure of Pb, and it is enhanced by the quantum size effect of nanocrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Artificial intelligence “sees” split electrons

Chemical bonds between atoms are stabilized by the exchange-correlation (xc) energy, a quantum-mechanical effect in which “social distancing” by electrons lowers their electrostatic repulsion energy. Kohn-Sham density functional theory (DFT) states that the electron density determines this xc energy, but the density functional must be approximated. Furthermore, this is usually done by satisfying exact constraints of the exact functional (making the approximation predictive), by fitting to data (making it interpolative), or both. Two exact constraints—the ensemble-based piecewise linear variation of the total energy with respect to fractional electron number and fractional electron z-component of spin —require hard-to-control nonlocality. On page 1385 of this issue, Kirkpatrick et al. have taken a big step toward more accurate predictions for chemistry through the machine learning of molecular data plus the fractional charge and spin constraints, expressed as data that a machine can learn.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Transition energy measurements of the X-ray lines of neon-like europium

Here, we report the measurements of the n = 3 → n = 2 L-shell X-ray transitions of neon-like Eu 53+ . These include all seven allowed electric dipole (E1) transitions, five electric quadrupole (E2) transitions, and one magnetic quadrupole (M2) transition. The measurements were carried out at the EBIT-I electron beam ion trap facility at Livermore using an X-ray calorimeter. The measured values agree with many-body perturbation theory calculations within the experimental uncertainties. This includes the transitions that involve a 2s electron and that are, therefore, strongly affected by quantum electrodynamical effects.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density-functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent implementations around this approach, in particular in the context of complex, extended systems. Results include an analysis of the computational cost associated with numerical propagation and when using absorbing boundary conditions. Here we extensively explore the shortcomings for describing electron–electron scattering in real time and compare to many-body perturbation theory. Modern improvements of the description of exchange and correlation are reviewed. In this work, we specifically focus on the Qb@ll code, which we have mainly used for these types of simulations over the last years, and we conclude by pointing to further progress needed going forward.

2D materials↗
DOE OSTI2020

HPC4Mfg with Samsung: Making semiconductor devices cool through HPC ab initio simulations

For decades, the semiconductor technology has followed the Moore’s law, making newer devices more powerful and energy efficient. Recently, however, it has reached a point where the performance and the energy efficiency of the device do not improve with the shrinking device size. One of the fundamental reasons of this deviation from the past trend is the interconnect resistance, which becomes larger with the shrinking size. The devices size is so small that the quantum mechanical effects can no longer be ignored and the traditional continuum simulation tools such as TCAD become inadequate. In this project, Samsung Semiconductor Inc. and Lawrence Berkeley National Laboratory has collaborated to perform first of kind device-scale ab initio simulations to optimize materials and interconnect morphology to minimize interconnect resistance. We have tested the use of LS3DF method and the PEtot_trans approach on top of the folded spectrum method (FSM) Escan code to calculate the scattering state, and to study various effects influence the interconnect conductivity. We found that, the LS3DF can be used to calculate such metallic system. On the other hand, the use of Escan code to solve the linear equation is not practical due to the slow convergence. We have implemented a Chebyshev filter technique to calculate a few hundred eigen states near the scattering state energy E, then use these eigen states as preconditioner to solve the linear equation. We have used this approach to study the different factors which affect the interconnect conductivity, including the shape, the point defect, the temperature, and the grain boundary.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

(U) Segmented Scintillator Pitch, Thickness, and Septa Material Effects on the Swank Factor, Quantum Efficiency, and DQE(0) for High-Energy X-Ray Radiography

Scintillator design is an important aspect in constructing a radiographic facility in order to collect the most robust data possible. For the proposed Enhanced Capabilities for Sub-critical Experiment (ECSE) facility in Nevada, we explored a permutation of 13 segmented scintillator designs in order to understand the best performance and trade offs for each design. We calculated the quantum efficiency, Swank factor, and detective quantum efficiency at zero-frequency (DQE(0)) for each scintillator design in order to compare performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Ruling out Color Transparency in quasi-elastic 12C(e,e′p) up to Q2=14 (GeV/c)2*

Color transparency (CT) is a fundamental phenomenon of QCD postulating that at high momentum transfer, one can preferentially measure hadrons that fluctuate to a small color neutral transverse size in the nucleus, and final state interactions within the nuclear medium are suppressed. This talk will discuss the recent quasi-elastic 12C(?,???) scattering measurement in Hall C at momentum transfer squared ?2=8,9.4,11.4, and 14.2 (GeV/c)2, the highest ever achieved to date. Nuclear transparency for this reaction was extracted by comparing the measured yield to that expected from a plane-wave impulse approximation calculation without any final state interactions. The measured transparency was observed to be independent of ?2, ruling out the quantum chromodynamics effect of color transparency at such momentum scales. These new results impose strict constraints on models of color transparency for protons.

Szumila-Vance, Holly↗
DOE OSTI2023

Quantum Transport in 2D Semiconductors

Leveraging progress in synthesis of ultra-pure transition metal dichalcogenide (TMD) crystals, our team has made key breakthroughs in the study of quantum states in two-dimensional (2D) TMD semiconductors. Using a capacitance spectroscopy technique, we have observed the first signatures of fractional quantum Hall states in monolayer WSe 2 and clear signatures of interlayer exciton condensates in bilayer WSe 2 . In a transport study of bilayer WSe 2 , we report observation of spin-selective magneto-conductivity in WSe 2 . To improve electrical transport studies, we have focused on metal-TMD contacts by studying the behavior of metal-TMD contacts in the clean limit, and developing a new contact doping technique that achieves Ohmic contact down to low temperature and low carrier density. Using this new technique, we study electrical transport in monolayer WSe 2 down to low temperature and low carrier density, finding record-high hole mobility and evidence of a metal-insulator transition at low density. Under high magnetic fields, we observe clear signatures of fractional quantum Hall effect in transport for the first time in a TMD.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Study of the Neutrino Magnetic Moment with the NOvA Near Detector

Predicted by the Standard Model as theoretical, massless particles, neutrinos have been the subject of many experiments since their first detection. It is now experimentally confirmed that neutrinos do have mass necessitating an extension to the Standard Model. Such an extension allows for other surprising neutrino properties, such as a neutrino magnetic moment. While neutrinos are observed to be neutral and do not couple to photons at leading order, higher order expansion of the interaction allows for coupling to the photon to occur and gives rise to a neutrino magnetic moment through quantum loop effects. This is a useful property for studying the Dirac or Majorana nature of neutrinos, as the predicted value of the magnetic moment would differ. This talk focuses on an introduction to the neutrino magnetic moment as well as discusses the current status of work being done on NOvA utilizing the Near Detector to obtain an upper limit on the neutrino magnetic moment value.

43 PARTICLE ACCELERATORS↗