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DOE OSTI2019

Physical generalizations of the Rényi entropy

We present a new type of generalization of the Rényi entropy that follows naturally from its representation as a thermodynamic quantity. We apply it to the case of [Formula: see text]-dimensional conformal field theories (CFTs) reduced on a region bounded by a sphere. It is known how to compute their Rényi entropy as an integral of the thermal entropy of hyperbolic black holes in [Formula: see text]-dimensional anti-de Sitter spacetime. We show how this integral fits into the framework of extended gravitational thermodynamics, and then point out the natural generalization of the Rényi entropy that suggests itself in that light. In the field theory terms, the new generalization employs aspects of the physics of Renormalization Group (RG) flow to define a refined version of the reduced vacuum density matrix. For [Formula: see text], it can be derived directly in terms of twist operators in field theory. The framework presented here may have applications beyond this context, perhaps in studies of both quantum and classical information theoretic properties of a variety of systems.

Astronomy & Astrophysics↗

DOE OSTI2016

A state interaction spin-orbit coupling density matrix renormalization group method

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe{sub 2}S{sub 2}(SCH{sub 3}){sub 4}]{sup 3−}, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Enhancing multi-step quantum state tomography by PhaseLift

Multi-photon system has been studied by many groups, however the biggest challenge faced is the number of copies of an unknown state are limited and far from detecting quantum entanglement. The difficulty to prepare copies of the state is even more serious for the quantum state tomography. One possible way to solve this problem is to use adaptive quantum state tomography, which means to get a preliminary density matrix in the first step and revise it in the second step. In order to improve the performance of adaptive quantum state tomography, we develop a new distribution scheme of samples and extend it to three steps, that is to correct it once again based on the density matrix obtained in the traditional adaptive quantum state tomography. Our numerical results show that the mean square error of the reconstructed density matrix by our new method is improved to the level from 10{sup −4} to 10{sup −9} for several tested states. In addition, PhaseLift is also applied to reduce the required storage space of measurement operator. - Highlights: • PhaseLift is firstly applied in the adaptive quantum state tomography and the required store space of measurement operator is reduced. • Traditional adaptive quantum state tomography is extended to three-step adaptive quantum state tomography. • A new scheme of copy distribution of state is proposed to effectively use the limited copies of state. • For several tested states, the mean square error of the reconstructed state is reduced to 10{sup −9} from 10{sup −4}. • Fidelity is more accurately estimated with limited copies of state compared with traditional adaptive quantum state tomography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Reversed Field Pinch Research in MST (Final Technical Report)

This is the Final Technical Report for the cooperative agreement DE-FC02-05ER54814 titled “Reversed Field Pinch Research in MST” spanning the funding period 4/1/2005 to 12/14/2019. It summarizes key results from MST research, major publications and presentations, and the mentoring of graduate students and postdocs. The Madison Symmetric Torus (MST) is unique within the U.S. and world fusion plasma program. As one of just five operating reversed field pinch (RFP) experiments, and the only one in the U.S., MST has had an important role in advancing the fundamental understanding of the RFP plasma configuration. The MST research program targets topics that intersect with all three goals. While MST provides a unique opportunity to advance the science and fusion potential of the RFP, as a cousin to the tokamak and stellarator plasma configurations the RFP is a valuable partner in establishing validated predictive capability for fusion science more generally. Specific combinations of the major variables in toroidal confinement, like magnetic field strength, plasma current, and shaping, define the different configurations. By exploring adjacent regions in this major variable parameter space, the RFP exposes dependencies not otherwise accessible in the tokamak and stellarator. This diversity enlarges the arena for scientific discovery, both for fusion and plasma physics. The basic science emphasis for MST research has been the self-organizing behavior of RFP plasmas. This inspired MST’s participation in the NSF Physics Frontier Center for Magnetic Self-Organization in Laboratory and Astrophysical Plasmas (CMSO), which ran from 2004-2016 and motivated a substantial fraction of MST’s research goals and capabilities. By all measures the MST Program has been remarkably successful in publications, community engagement, and mentoring of young scientists. While the DOE-FES’s proof-of-principle program for the RFP now languishes through the cessation of this cooperative agreement, operation of MST continues as one of two devices included in the new Wisconsin Plasma Physics Laboratory (WiPPL) basic science user facility. The scope of present research for MST in WiPPL is narrowed to the basic science associated with the RFP magnetic configuration and the advancement of specific fusion topics, which now includes studies of disruptions in tokamak plasmas. The world’s effort in RFP fusion research continues, despite a lack of U.S. federal support to investigate the RFP configuration for fusion application, most notably through a major upgrade to the RFX-mod2 facility in Italy [1] and the recent construction of the KTX facility at USTC in China. First plasmas for RFX-mod2 are anticipated in 2021.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Automated Airborne Pathogen Monitoring for Agriculture (CRADA Final Report)

As part of the Cyclotron Road program, Root Applied Sciences investigated the use of DNA-based assays under field conditions to detect airborne plant pathogens in environmental samples. Robust DNA-based assays are critical for automated monitoring of plant pathogen concentrations in the air using Root’s air samplers. A fully automated air sampler coupled with DNA-based assays capable of operating under field conditions will accelerate the delivery of disease risk alerts based on airborne inoculum loads. Timely and accurate alerts of pathogen loads in the air can help growers manage airborne diseases more precisely, avoiding fungicide applications when there is no threat, and focusing cultural practices in the right areas. This project built upon other work done by Root to study the in-field performance of a liquid DNA-based assay for detection of grape powdery mildew. Growers working with Root’s airborne powdery mildew monitoring system have reported 20-80% reductions in pesticides.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Constraints on operator ordering from third quantization

In this paper, we analyse the Wheeler–DeWitt equation in the third quantized formalism. We will demonstrate that for certain operator ordering, the early stages of the universe are dominated by quantum fluctuations, and the universe becomes classical at later stages during the cosmic expansion. This is physically expected, if the universe is formed from quantum fluctuations in the third quantized formalism. So, we will argue that this physical requirement can be used to constrain the form of the operator ordering chosen. We will explicitly demonstrate this to be the case for two different cosmological models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A momentum-space formulation without partial wave decomposition for scattering of two spin-half particles

A new momentum-space formulation for scattering of two spin-half particles, both either identical or unidentical, is formulated. As basis states the free linear-momentum states are not expanded into the angular-momentum states, the system’s spin states are described by the product of the spin states of the two particles, and the system’s isospin states by the total isospin states of the two particles. We evaluate the Lippmann-Schwinger equations for the T-matrix elements in these basis states. The azimuthal behavior of the potential and of the T-matrix elements leads to a set of coupled integral equations for the T-matrix elements in two variables only, which are the magnitude of the relative momentum and the scattering angle. Some symmetry relations for the potential and the T-matrix elements reduce the number of the integral equations to be solved. A set of six spin operators to express any interaction of two spin-half particles is introduced. We show the spin-averaged differential cross section as being calculated in terms of the solution of the set of the integral equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Thermodynamics of Light Management in Near-Field Thermophotovoltaics

We evaluate near-field thermophotovoltaic (TPV) energy-conversion systems focusing in particular on their open-circuit voltage (V OC ). Unlike previous analyses based largely on numerical simulations with fluctuational electrodynamics, here, we develop an analytic model that captures the physics of near-field TPV systems and can predict their performance metrics. Using our model, we identify two opportunities of TPV systems operating in the near field. First, we show analytically that enhancement of radiative recombination is a natural consequence of operating in the near field. Second, we note that, owing to photon recycling and minimal radiation leakage in near-field operation, the PV cell used in near-field TPV systems can be much thinner compared to those used in solar PV systems. Since nonradiative recombination is a volumetric effect, use of a thinner cell reduces nonradiative losses per unit area. The combination of these two opportunities leads to increasingly large values of V OC as the TPV vacuum gap decreases. Hence, although operation in the near-field was previously perceived to be beneficial for electrical power-density enhancement, here, we emphasize that thin-film near-field TPVs are also significantly advantageous in terms of V OC and consequently conversion efficiency as well as power density. We provide numerical results for an InAs-based thin-film TPV that exhibits efficiency >50% at an emitter temperature as low as 1100 K.

42 ENGINEERING↗

DOE OSTI2019

Liquid argon time projection chamber calibration using cosmogenic muons, and measurement of neutrino induced charged kaon production in argon in the charged current mode (MicroBooNE experiment)

The MicroBooNE experiment at Fermilab uses the novel LArTPC technology to reconstruct neutrino interactions with liquid argon. The experiment consists of a detector having an active mass of 85 tons of liquid argon, where the operational electric field of the TPC is 0.273 kV/cm. While BNB neutrino beam at Fermilab is the main source for neutrinos for the experiment having an average energy of ~0.8 GeV, the NUMI neutrino beam at Fermilab also provides high energy neutrinos to perform different physics analyses. The MicroBooNE experiment has been in operation since october 2015. Its major physics goals include investigating into the anomalous production of electron neutrino like events as observed by MiniBooNE and LSND experiments and detail studies of neutrino-argon cross sections at lower neutrino energies. Moreover, the experiment will also serve as R&D for future LArTPC experiments like the already proposed SBN and DUNE programs. One of the major operational requirements of any LArTPC experiment including MicroBooNE is to achieve a high liquid argon purity keeping the electronegative contaminants like H2O and O2 at low concentration levels. This dissertation first describes how to perform an electron attenuation measurement using cosmogenic muons, which provides a handle over the the amount of electronegative impurities inside our detector medium. Likewise this measurement also serves as the first step towards reconstruction of particle energies as MicroBooNE must compensate for the loss of ionization electrons due to capture by electronegative contaminants. Secondly, the discussion is about how to calibrate any LArTPC detector in removing any spatial and temporal variations of the dQ/dx (charge deposited per unit length) spectrum using cosmogenic muons and then how to calculate correct energies of particle interactions with these calibrated out dQ/dx values. The translation of dQ/dx to particle energies (dE/dx - energy deposited per unit lengt h) makes use of the stopping muons coming from neutrino inte! ractions as the standard candle. The final discussion is about the neutrino induced charged kaon production at charged current mode in the lower neutrino energies of MicroBooNE experiment. This measurement is crucial as there is no such measurement so far on argon at the scale of neutrino energies used for MicroBooNE while already existing measurements on lighter nuclear targets are also sparse. This dissertation presents the first identified neutrino induced kaon candidates in MicroBooNE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Flat-space quantum gravity in the AdS / CFT correspondence

Motivated by the task of understanding microscopic dynamics of an evolving black hole, we present a scheme describing gauge-fixed continuous time evolution of quantum gravitational processes in asymptotically flat spacetime using the algebra of conformal field theory operators. This allows us to study the microscopic dynamics of the Hawking emission process, although obtaining a full S-matrix may require a modification of the minimal scheme. The role of the operator product expansion is to physically interpret the resulting time evolution by decomposing the Hilbert space of the states for the entire system into those for smaller subsystems. We translate the picture of an evaporating black hole previously proposed by the authors into predictions for nonperturbative properties of the conformal field theories that have weakly coupled dual gravitational descriptions. Finally, we also discuss a possible relationship between the present scheme and a reference frame change in the bulk.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Using Geothermal Play Types as an Analogue for Estimating Potential Resource Size

Blind geothermal systems are becoming increasingly common as more geothermal fields are developed. Geothermal development is known to have high risk in the early stages of a project development because reservoir characteristics are relatively unknown until wells are drilled. Play types (or occurrence models) categorize potential geothermal fields into groups based on geologic characteristics. To aid in lowering exploration risk, these groups' reservoir characteristics can be used as analogues in new site exploration. The play type schemes used in this paper were Moeck and Beardsmore play types (Moeck et al. 2014) and Brophy occurrence models (Brophy et al. 2011). Operating geothermal fields throughout the world were classified based on their associated play type, and then reservoir characteristics data were catalogued. The distributions of these characteristics were plotted in histograms to develop probability density functions for each individual characteristic. The probability density functions can be used as input analogues in Monte Carlo estimations of resource potential for similar play types in early exploration phases. A spreadsheet model was created to estimate resource potential in undeveloped fields. The user can choose to input their own values for each reservoir characteristic or choose to use the probability distribution functions provided from the selected play type. This paper also addresses the United States Geological Survey's 1978 and 2008 assessment of geothermal resources by comparing their estimated values to reported values from post-site development. Information from the collected data was used in the comparison for thirty developed sites in the United States. No significant trends or suggestions for methodologies could be made by the comparison.

15 GEOTHERMAL ENERGY↗

DOE OSTI2015

Global limits and interference patterns in dark matter direct detection

We compare the general effective theory of one-body dark matter nucleon interactions to current direct detection experiments in a global multidimensional statistical analysis. We derive exclusion limits on the 28 isoscalar and isovector coupling constants of the theory, and show that current data place interesting constraints on dark matter-nucleon interaction operators usually neglected in this context. We characterize the interference patterns that can arise in dark matter direct detection from pairs of dark matter-nucleon interaction operators, or from isoscalar and isovector components of the same operator. We find that commonly neglected destructive interference effects weaken standard direct detection exclusion limits by up to one order of magnitude in the coupling constants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Benchmarking simplified template cross sections in W H production

Simplified template cross sections define a framework for the measurement and dissemination of kinematic information in Higgs measurements. We benchmark the currently proposed setup in an analysis of dimension-6 effective field theory operators for W H production. Calculating the Fisher information allows us to quantify the sensitivity of this framework to new physics and study its dependence on phase space. New machine-learning techniques let us compare the simplified template cross section framework to the full, high-dimensional kinematic information. We show that the way in which we truncate the effective theory has a sizable impact on the definition of the optimal simplified template cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Cogenerating and pre-annihilating dark matter by a new gauge interaction in a unified model

Grand unified theories based on large groups (with rank ≥6) are a natural context for dark matter models. They contain Standard-Model-singlet fermions that could be dark matter candidates, and can contain new non-abelian interactions whose sphalerons convert baryons, leptons, and dark matter into each other, “cogenerating' a dark matter asymmetry comparable to the baryon asymmetry. In this paper it is shown that the same non-abelian interactions can “pre-annihilate' the symmetric component of heavy dark matter particles χ, which then decay late into light stable dark matter particles ζ that inherit their asymmetry. We derive cosmological constraints on the parameters of such models. The mass of χ must be <3000 TeV and their decays must happen when 2×10{sup −7}<T{sub dec}/m{sub χ}<10{sup −4}. It is shown that such decays can come from d=5 operators with coefficients of order 1/M{sub GUT} or 1/M{sub Pℓ}. We present a simple realization of our model based on the group SU(7).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Trace Theorem and Applications

We characterize three-dimensional vector fields on the basis of the trace of a certain combination of normal derivatives, curl, and divergence. We clarify an unconditional connection between the values of a vector-valued function and the values of gradient, curl, and divergence on the boundary, which makes it possible to consider boundary value problems with boundary conditions that involve the basic first order differential operations of field theory.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Improving Solar PV Degradation Prediction Certainty: PREDICTS2 (Final Technical Report)

The rate and type of in-service PV performance degradation vary for different module designs, vintages, and operating climates. The current IEC 61215 module qualification testing standard can be used to identify design and manufacturing flaws that may lead to early life failures, but it was not intended to accurately predict degradation rates in the first 5 to 10 years of a PV plant’s lifetime, nor long-term performance, under varied operating conditions. Correlations between accelerated aging data and real-world degradation data are needed to better predict wear-out degradation in response to environmental stressors, such as elevated temperature, temperature cycling, moisture, wind load, and solar radiation. The PREDICTS2 project aged 36 pristine-condition ‘spare’ modules from a commercial PV power plant in the U.S. Southwest using the IEC 61215 and Qualification Plus (Qual Plus) testing standards. The study is unique in its ability to compare performance degradation data for fielded modules operating outdoors for 6 years in a commercial plant environmental with degradation data for modules of the same make, model and vintage that have been aged artificially in an indoor laboratory. Changes in individual module current-voltage (I-V) curve data were measured before and after the artificial aging process and compared to I-V curve data for the fielded modules. This project advanced the industry’s understanding of how environmental stressors affect performance degradation and established relationships between degradation mechanisms and changes to module electrical parameters and power loss. Improved certainty in degradation rates is expected to be the greatest source of LCOE reduction resulting from this project. Reducing the spread in the degradation rate probability distribution lowers project risk, which translates to lower project financing costs.

14 SOLAR ENERGY↗

DOE OSTI2017

Model dynamics for quantum computing

A model master equation suitable for quantum computing dynamics is presented. In an ideal quantum computer (QC), a system of qubits evolves in time unitarily and, by virtue of their entanglement, interfere quantum mechanically to solve otherwise intractable problems. In the real situation, a QC is subject to decoherence and attenuation effects due to interaction with an environment and with possible short-term random disturbances and gate deficiencies. The stability of a QC under such attacks is a key issue for the development of realistic devices. We assume that the influence of the environment can be incorporated by a master equation that includes unitary evolution with gates, supplemented by a Lindblad term. Lindblad operators of various types are explored; namely, steady, pulsed, gate friction, and measurement operators. In the master equation, we use the Lindblad term to describe short time intrusions by random Lindblad pulses. The phenomenological master equation is then extended to include a nonlinear Beretta term that describes the evolution of a closed system with increasing entropy. An external Bath environment is stipulated by a fixed temperature in two different ways. Here we explore the case of a simple one-qubit system in preparation for generalization to multi-qubit, qutrit and hybrid qubit–qutrit systems. This model master equation can be used to test the stability of memory and the efficacy of quantum gates. The properties of such hybrid master equations are explored, with emphasis on the role of thermal equilibrium and entropy constraints. Several significant properties of time-dependent qubit evolution are revealed by this simple study. - Highlights: • General realistic density matrix evolution model shown for one qubit. • Unitary pulses & bias yield quantum gates without harmful phase accumulations. • Gate friction, dissipation included by random Lindblad noise pulses. • Bath & entropy terms yield equilibrium; test algorithms, gates act on Larmor grid. • Measurement modeled by strong, fast Lindblad pulses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Evaluation of the Room Temperature Field Quality Measurements of HL-LHC MQXFA Magnet Assemblies

As a member of the multi-lab U.S. High Luminosity LHC Accelerator Upgrade Project (HL-LHC AUP), Lawrence Berkeley National Laboratory (LBNL) is assembling high-field Nb3Sn low-beta MQXFA quadrupole magnets for eventual installation at CERN as part of the HL-LHC upgrade. Each magnet undergoes room temperature magnetic measurements at two points during the assembly process: once after completion of the coil pack sub-assembly and once after the magnet is fully assembled and pre-loaded. Beyond its use to verify that each magnet assembly can meet operational requirements, the data from this two-stage measurement process allow for investigation into the impact of the pre-loading operation on field quality. Recent measurements on magnet rebuilds as well as exploratory coil pack reconfigurations also provide an opportunity to see in isolation the effects of changes to a magnet’s coil selection or coil layout. In this work, we present the magnetic measurement results of MQXFA magnets assembled or currently in process, focusing particularly on magnets with data corresponding to multiple builds, and discuss trends and insights which may be beneficial for the remaining MQXFA magnet production or for future Nb3Sn accelerator magnets.

Doyle, Jennifer [LBNL, Berkeley] (ORCID:0009000079↗