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DOE OSTI2020

Energy spectrum and current-phase relation of a nanowire Josephson junction close to the topological transition

A semiconducting nanowire proximitized by an $\textit{s}$-wave superconductor can be tuned into a topological state by an applied magnetic field. This quantum phase transition is marked by the emergence of Majorana zero modes at the ends of the wire. The fusion of Majorana modes at a junction between two nanowires results in a 4π-periodic Josephson effect. Here, we elucidate how the 4π periodicity arises across the topological phase transition in a highly-transparent short nanowire junction. Owing to a high transmission coefficient, Majorana zero modes coming from different wires are strongly coupled, with an energy scale set by the proximity-induced, field-independent pairing potential. At the same time, the topological spectral gap—defined by competition between superconducting correlations and Zeeman splitting—becomes narrow in the vicinity of the transition point. The resulting hybridization of the fused Majorana states with the spectral continuum strongly affects the electron density of states at the junction and its Josephson energy. We study the manifestations of this hybridization in the energy spectrum and phase dependence of the Josephson current. We pinpoint the experimentally observable signatures of the topological phase transition, focusing on junctions with weak backscattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Laser induced rovibrational cooling of the linear polyatomic ion C{sub 2}H{sub 2}{sup +}

The laser-induced blackbody-assisted rotational cooling of a linear polyatomic ion, C{sub 2}H{sub 2}{sup +}, in its {sup 2}Π ground electronic state in the presence of the blackbody radiation field at 300 K and 77 K is investigated theoretically using a rate-equations model. Although pure rotational transitions are forbidden in this non-polar species, the ν{sub 5} cis-bending mode is infrared active and the (1-0) band of this mode strongly overlaps the 300 K blackbody spectrum. Hence the lifetimes of state-selected rotational levels are found to be short compared to the typical timescale of ion trapping experiments. The ν{sub 5} (1-0) transition is split by the Renner-Teller coupling of vibrational and electronic angular momentum, and by the spin-orbit coupling, into six principal components and these effects are included in the calculations. In this paper, a rotational-cooling scheme is proposed that involves simultaneous pumping of a set of closely spaced Q-branch transitions on the {sup 2}Δ{sub 5/2} − {sup 2}Π{sub 3/2} band together with two Q-branch lines in the {sup 2}Σ{sup +} − {sup 2}Π{sub 1/2} band. It is shown that this should lead to >70% of total population in the lowest rotational level at 300 K and over 99% at 77 K. In principle, the multiple Q-branch lines could be pumped with just two broad-band (∼Δν = 0.4–3 cm{sup −1}) infrared lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Neutrino constraints on inelastic dark matter captured in the Sun

Abstract The flux of neutrinos from annihilation of gravitationally captured dark matter in the Sun has significant constraints from direct-detection experiments. However, these constraints are relaxed for inelastic dark matter as inelastic dark matter interactions generate less energetic nuclear recoils compared to elastic dark matter interactions. In this paper, we explore the possibility for large volume underground neutrino experiments to detect the neutrino flux from captured inelastic dark matter in the Sun. The neutrino spectrum has two components: a mono-energetic “spike” from pion and kaon decays at rest and a broad-spectrum “shoulder” from prompt primary meson decays. We focus on detecting the shoulder neutrinos from annihilation of hadrophilic inelastic dark matter with masses in the range 4–100 GeV and the mass splittings in up to 300 keV. We determine the event selection criterion for DUNE to identify GeV-scale muon neutrinos and anti-neutrinos originating from hadrophilic dark matter annihilation in the Sun, and forecast the sensitivity from contained events. We also map the current bounds from Super-Kamiokande and IceCube on elastic dark matter, as well as the projected limits from Hyper-Kamiokande, to the parameter space of inelastic dark matter. We find that there is a region of parameter space that these neutrino experiments are more sensitive to than the direct-detection experiments. For dark matter annihilation to heavy-quarks, the projected sensitivity of DUNE is weaker than current (future) Super (Hyper) Kamiokande experiments. However, for the light-quark channel, only the spike is observable and DUNE will be the most sensitive experiment.

Astronomy & Astrophysics↗

DOE OSTI2022

Nonlinear saturation of reverse shear Alfvén eigenmodes induced by kinetic electrons

A strong nonlinear saturation mechanism of the reverse shear Alfvén eigenmode (RSAE) induced by thermal electrons is observed in gyrokinetic $\delta$$f$ particle-in-cell simulation. This nonlinear effect occurs at moderate mode amplitude, $\delta$$B$ ⟂ /$B$ < 10 -3 , and is associated with the electron parallel streaming along the perturbed magnetic field lines, the term v $\|$ $\frac{δΒ_{⟂}}{B}$ ∙ ∇$\delta$$f$, in the electron drift-kinetic equation. In the case of an n = 4 RSAE, where n is the toroidal mode number, this magnetic fluttering nonlinearity leads to strong mode coupling and broadening of the saturation spectrum. The nonlinear components, which are highly damped through the interaction between thermal electrons and the parallel electric field, modifies the RSAE mode structure and suppresses energetic particle drive significantly. The split-weight scheme (Chen and Parker 2007 J. Comput. Phys. 220 839–55) is used to simulate kinetic electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Controlling attosecond transient absorption with tunable, non-commensurate light fields

We demonstrate a transient absorption scheme that uses a fixed-spectrum attosecond pulse train in conjunction with a tunable probe laser to access a wide range of nonlinear light-atom interactions. We exhibit control over the time-dependent Autler–Townes splitting of the 1s4p absorption line in helium, and study its evolution from a resonant doublet to a light-induced sideband with changing probe wavelength. The non-commensurate probe also allows for the background-free study of two-infrared-photon emission processes in a collinear geometry. Using this capability, we observe two different emission pathways with non-trivial delay dependencies, one prompt and the other delayed. Here, we identify the nonlinear processes underlying these emissions by comparing the experimental results to calculations based on the time-dependent Schrödinger equation.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1990

Representation of high frequency Space Shuttle data by ARMA algorithms and random response spectra

High frequency Space Shuttle lift-off data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models which lend themselves to incorporation to the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the non-stationarity of the lift-off event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguishable phase of the lift-off event, where stationarity can be expected. The presented results are rather preliminary in nature; it is aimed to call attention to the availability of the discussed digital algorithms and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗

DOE OSTI2025

DESI DR1 Ly α 1D power spectrum: the Fast Fourier Transform estimator measurement

Here, we present the one-dimensional Lyman-α forest power spectrum measurement derived from the data release 1 (DR1) of the Dark Energy Spectroscopic Instrument (DESI). The measurement of the Lyman-α forest power spectrum along the line of sight from high-redshift quasar spectra provides information on the shape of the linear matter power spectrum, neutrino masses, and the properties of dark matter. In this work, we use a Fast Fourier Transform (FFT)-based estimator, which is validated on synthetic data in a companion paper. Compared to the FFT measurement performed on the DESI early data release, we improve the noise characterization with a cross-exposure estimator and test the robustness of our measurement using various data splits. We also refine the estimation of the uncertainties and now present an estimator for the covariance matrix of the measurement. Furthermore, we compare our results to previous high-resolution and eBOSS measurements. In another companion paper, we present the same DR1 measurement using the Quadratic Maximum Likelihood Estimator (QMLE). These two measurements are consistent with each other and constitute the most precise one-dimensional power spectrum measurement to date, while being in good agreement with results from the DESI early data release.

Lyman alpha forest↗

DOE OSTI2015

Holes localized in nanostructures in an external magnetic field: g-factor and mixing of states

The energy spectrum and wave functions of holes in the valence band in semiconductor nanosystems, including quantum wells, quantum wires, and quantum dots, in an external magnetic field are theoretically investigated. The dependence of Zeeman splitting of the hole ground state upon variation in the size-quantization parameters with regard to the complex structure of the valence band and magnetic field-induced mixing of hole states is traced. Analytical formulas for describing the Zeeman effect in the valence band in the limiting cases of a quantum disk, spherically symmetric quantum dot, and quantum wire are presented. It is demonstrated that the g-factor of a hole is extremely sensitive to the hole-state composition (heavy or light hole) and, consequently, to the geometry of the size-quantization potential.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Earth Filter Mathematica Toolbox V4 User’s Guide: Simplifying, Visualizing and Quick Modeling of All Fission Products from 60 Nuclear Sources

The Earth Filter Mathematica toolbox is a set of user-friendly routines that accurately calculate the ingrowth and decay of any of the 908 fission products for an infinite combination of sources over a large dynamic range and large time scales. This toolbox was developed by Dr. W. P. Brug at Los Alamos National Laboratory and eliminates the need for the user to define and solve differential equations by automatically scanning the ENDF-349 dataset and creating a complete set of differential equations (including delayed neutron branches to both the ground and metastable states) for every fission product. Additionally, this code allows the user to choose the data source for half-lives from several key references (i.e., TORI, IAEA, ENDF or NUDAT.) The complete set of ENDF-349 independent and cumulative fission yields for all 60 isotopic targets and 4 different neutron spectrums are included. This allows nearly any nuclear fission source to be accurately modeled as a linear combination of endpoint sources. The Earth Filter Toolbox has no limit as to the length of split list, and split lists of 5 or more endpoint sources can be quite common.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2002

Submillimeter Laboratory Investigations: Spectroscopy and Collisions

Currently, millimeter-wave and submillimeter-wave spectroscopy is conducted in our laboratory on several different types of spectrometers. Our standard spectrometer utilizes the output of a phase-locked klystron operating in the 40-60 GHz region, which is sent into a crossed-waveguide harmonic generator, or "multiplier". The high frequency millimeter-and submillimeter-wave radiation is transmitted via quasi-optical techniques through an absorption cell and then onto a detector, which is either an InSb hot electron bolometer cooled to 1.4 K or a Si bolometer cooled to 0.3 K. The detector response is sent to a computer for measurement and analysis. The frequency range produced and detected in this manner goes from 80 GHz to upwards of 1 THz. Spectra are normally taken with source modulation, with line frequencies typically measured to an accuracy of 50-100 kHz. Higher accuracy is available when needed. Recently, we developed a new, broad-band spectrometer in our laboratory based on a free-running backward wave oscillator (BWO) of Russian manufacture as the primary source of radiation. The so-called FASSST (fast-scan submillimeter spectroscopic technique) system uses fast-scan and optical calibration methods rather than the traditional locking techniques. The output power from the BWO is split such that 90% goes into the absorption cell while 10% is coupled to a 40-meter Fabry-Perot cavity, which yields fringe? for frequency measurement. Results from this spectrometer on the spectrum of nitric acid (HNO3) show that 100 GHz of spectral data can be obtained in 5 seconds with a measurement accuracy of 50 kHz. Currently, the frequency range of the FASSST system in our laboratory is roughly 100-700 GHz.

Herbst, Eric↗

DOE OSTI2016

Torsion-rotation-vibration effects in the ground and first excited states of methacrolein, a major atmospheric oxidation product of isoprene

Methacrolein is a major oxidation product of isoprene emitted in the troposphere. New spectroscopy information is provided with the aim to allow unambiguous identification of this complex molecule, characterized by a large amplitude motion associated with the methyl top. State-of-the-art millimeter-wave spectroscopy experiments coupled to quantum chemical calculations have been performed. For the most stable s-trans conformer of atmospheric interest, the torsional and rotational structures have been characterized for the ground state, the first excited methyl torsional state (ν{sub 27}), and the first excited skeletal torsional state (ν{sub 26}). The inverse sequence of A and E tunneling sub-states as well as anomalous A-E splittings observed for the rotational lines of v{sub 26} = 1 state clearly indicates a coupling between methyl torsion and skeletal torsion. A comprehensive set of molecular parameters has been obtained. The far infrared spectrum of Durig et al. [Spectrochim. Acta, Part A 42, 89–103 (1986)] was reproduced, and a Fermi interaction between ν{sub 25} and 2ν{sub 27} was evidenced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Direct measurement of the static and transient magneto-optical permittivity of cobalt across the entire M -edge in reflection geometry by use of polarization scanning

The microscopic state of a magnetic material is characterized by its resonant magneto-optical response through the off-diagonal dielectric tensor component ε xy . However, the measurement of the full complex ε xy in the extreme ultraviolet spectral region covering the M absorption edges of 3d ferromagnets is challenging due to the need for either a careful polarization analysis, which is complicated by a lack of efficient polarization analyzers, or scanning the angle of incidence in fine steps. Here, we propose and demonstrate a technique to extract the complex resonant permittivity ε xy simply by scanning the polarization angle of linearly polarized high harmonics to measure the magneto-optical asymmetry in reflection geometry. Because this technique is more practical and faster to experimentally implement than previous approaches, we can directly measure the full time evolution of ε xy (t) during laser-induced demagnetization across the entire M 2,3 absorption edge of cobalt with femtosecond time resolution. We find that for polycrystalline Co films on an insulating substrate, the changes in ε xy are uniform throughout the spectrum, to within our experimental precision. This result suggests that, in the regime of strong demagnetization, the ultrafast demagnetization response is primarily dominated by magnon generation. Here, we estimate the contribution of exchange-splitting reduction to the ultrafast demagnetization process to be no more than 25%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Study of multiple InAs/GaAs quantum-well structures by electroreflectance spectroscopy

A periodic Bragg heterostructure with three ultrathin InAs/GaAs quantum wells in a period is fabricated and studied. The splitting energy of exciton transitions in quantum wells is determined by the electroreflectance- spectroscopy method and numerical quantum-mechanical calculation. The significant influence of interference effects on individual peak areas in the electroreflectance spectrum is detected.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Existing Whole-House Solutions Case Study: Retrofitting a 1960s Split-Level Cold-Climate Home

National programs such as Home Performance with ENERGY STAR® and numerous other utility air sealing programs have brought awareness to homeowners of the benefits of energy efficiency retrofits. Yet, these programs tend to focus on the low-hanging fruit: air-sealing the thermal envelope and ductwork where accessible, switch to efficient lighting, and low-flow fixtures. At the other end of the spectrum, deep-energy retrofit programs are also being encouraged by various utilities across the country. While deep energy retrofits typically seek 50% energy savings, they are often quite costly and most applicable to gut-rehab projects. A significant potential for lowering energy usage in existing homes lies between the low hanging fruit and deep energy retrofit approaches - retrofits that save approximately 30% in energy over the existing conditions.

1960 split level↗

DOE OSTI2014

Neutronic analysis of candidate accident-tolerant cladding concepts in pressurized water reactors

A study analyzed the neutronics of alternate cladding materials in a pressurized water reactor (PWR) environment. Austenitic type 310 (310SS) and 304 stainless steels, ferritic Fe-20Cr-5Al (FeCrAl) and APMT™ alloys, and silicon carbide (SiC)-based materials were considered and compared with Zircaloy-4. SCALE 6.1 was used to analyze the associated neutronics penalty/advantage, changes in reactivity coefficients, and spectral variations once a transition in the cladding was made. In the cases examined, materials containing higher absorbing isotopes invoked a reduction in reactivity due to an increase in neutron absorption in the cladding. Higher absorbing materials produced a harder neutron spectrum in the fuel pellet, leading to a slight increase in plutonium production. A parametric study determined the geometric conditions required to match cycle length requirements for each alternate cladding material in a PWR. A method for estimating the end of cycle reactivity was implemented to compare each model to that of standard Zircaloy-4 cladding. By using a thinner cladding of 350 μm and keeping a constant outer diameter, austenitic stainless steels require an increase of no more than 0.5 wt% enriched 235 U to match fuel cycle requirements, while the required increase for FeCrAl was about 0.1%. When modeling SiC (with slightly lower thermal absorption properties than that of Zircaloy), a standard cladding thickness could be implemented with marginally less enriched uranium (~0.1%). Moderator temperature and void coefficients were calculated throughout the depletion cycle. Nearly identical reactivity responses were found when coolant temperature and void properties were perturbed for each cladding material. By splitting the pellet into 10 equal areal sections, relative fission power as a function of radius was found to be similar for each cladding material. FeCrAl and 310SS cladding have a slightly higher fission power near the pellet’s periphery due to the harder neutron spectrum in the system, causing more 239 Pu breeding. An economic assessment calculated the change in fuel pellet production costs for use of each cladding. Furthermore, implementing FeCrAl alloys would increase fuel pellet production costs about 15% because of increased 235 U enrichment and the additional UO 2 pellet volume enabled by using thinner cladding.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1995

Millimeter and Submillimeter Spectroscopy of Molecules of Atmospheric Importance

In our proposal we laid out work in three areas of relevance to atmospheric science: millimeter and submillimeter spectroscopy, variable temperature pressure broadening, and band and intensity measurements in the FIR. Below we will briefly discuss our progress during the second year of this project. In our millimeter and submillimeter (mm/submm) spectroscopic work, one of our goals has been to work towards the unification of the rotational (primarily obtained by mm/submm techniques) and rotational-vibrational (primarily obtained by infrared techniques) data sets in the context of theoretically well founded models which take advantage of the strengths of the data from each experimental technique. From the point of view of the development of the optimal data base for atmospheric observations, this is clearly a desirable goal. During the first year of this project we did an analysis of a weighted, mixed infrared and mm/submm data set of the n = 0, 1, and 2 torsional states of the ground vibrational state of HOOH. The purpose of this work is to provide a unified understanding of the spectrum, which is applicable in both the rotational and rotational - vibrational regimes. We have succeed in doing this in the context of a single weighted fit which accounts for both data sets to their respective experimental uncertainty (-0.1 and 10 MHz, respectively). Additionally, we have now done a similar analysis on the n = 0 torsional state of v(sub 3) and begun a similar analysis on v(sub 6). For several years we have been working on the mm/submm rotational spectra of the many excited vibrational states of HNO3, again with particular emphasis on the relationships between the mm/submm and infrared spectra. During the first year of this project we were able to use mm/submm spectroscopy to fully resolve the torsional splittings in 2 v(sub 9) and v(sub 5), establish a theoretically well founded quantitative relation between them, and show that both have their physical origin in the torsional motion of the v(sub 9) mode.This result has now been incorporated in a recent reanalysis of the infrared spectrum and has resulted in improved fits - eliminating what was in retrospect a systematic error associated with this previously unknown effect.

DeLucia, Frank C.↗

DOE OSTI2015

Atomic layer deposition grown MO{sub x} thin films for solar water splitting: Prospects and challenges

The magnitude of energy challenge not only calls for efficient devices but also for abundant, inexpensive, and stable photoactive materials that can enable efficient light harvesting, charge separation and collection, as well as chemical transformations. Photoelectrochemical systems based on semiconductor materials have the possibility to transform solar energy directly into chemical energy the so-called “solar hydrogen.” The current challenge lies in the harvesting of a larger fraction of electromagnetic spectrum by enhancing the absorbance of electrode materials. In this context, atomically precise thin films of metal oxide semiconductors and their multilayered junctions are promising candidates to integrate high surface areas with well-defined electrode–substrate interface. Given its self-limited growth mechanism, the atomic layer deposition (ALD) technique offers a wide range of capabilities to deposit and modify materials at the nanoscale. In addition, it opens new frontiers for developing precursor chemistry that is inevitable to design new processes. Herein, the authors review the properties and potential of metal oxide thin films deposited by ALD for their application in photoelectrochemical water splitting application. The first part of the review covers the basics of ALD processes followed by a brief discussion on the electrochemistry of water splitting reaction. The second part focuses on different MO{sub x} films deposited by atomic layer deposition for water splitting applications; in this section, The authors discuss the most explored MO{sub x} semiconductors, namely, Fe{sub 2}O{sub 3}, TiO{sub 2}, WO{sub 3}, and ZnO, as active materials and refer to their application as protective coatings, conductive scaffolds, or in heterojunctions. The third part deals with the current challenges and future prospects of ALD processed MO{sub x} thin films for water splitting reactions.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Spin eigen-states of Dirac equation for quasi-two-dimensional electrons

Dirac equation for electrons in a potential created by quantum well is solved and the three sets of the eigen-functions are obtained. In each set the wavefunction is at the same time the eigen-function of one of the three spin operators, which do not commute with each other, but do commute with the Dirac Hamiltonian. This means that the eigen-functions of Dirac equation describe three independent spin eigen-states. The energy spectrum of electrons confined by the rectangular quantum well is calculated for each of these spin states at the values of energies relevant for solid state physics. It is shown that the standard Rashba spin splitting takes place in one of such states only. In another one, 2D electron subbands remain spin degenerate, and for the third one the spin splitting is anisotropic for different directions of 2D wave vector.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗