Search NASA⌕ Search

SEARCH · Search NASA

Results for “MICROSCOPES”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Three-dimensional stacking of canted antiferromagnetism and pseudospin current in undoped Sr 2 IrO 4 : Symmetry analysis and microscopic model realization

Recent optical second-harmonic generation experiments observed unexpected broken spatial symmetries in the undoped spin-orbit Mott insulator Sr2 IrO4, leading to intensive debates on the nature of its ground state. Here we propose that it is a canted antiferromagnetism (CAF) with a hidden order of circulating staggered pseudospin current. Symmetry analysis shows that a proper c-axis stacking of the CAF and the pseudospin current lead to a magnetoelectric coexistence state that breaks the twofold rotation, inversion, and time-reversal symmetries, consistent with experimental observations. We construct a three-dimensional Hubbard model with spin-orbit coupling and structural distortion for the five localized 5d Wannier orbitals centered at Ir sites and demonstrate the microscopic realization of the desired coexistence state in a wide range of band parameters via a combination of self-consistent Hartree-Fock and variational calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Microscopic origin of ultranodal superconducting states in spin- 1 2 systems

Several unconventional superconductors show indications of zero-energy excitations in the superconducting state consistent with the existence of a so-called Bogoliubov-Fermi surface (BFS). In particular, FeSe isovalently substituted with S seems to acquire a nonzero density of states at zero energy at low temperatures as the system goes into the tetragonal phase, consistent with a previously proposed phenomenological theory assuming an anisotropic spin singlet pairing gap coexisting with a nonunitary interband triplet component. Here we search for a microscopic model that can support the coexistence of singlet pairing with other orders, including interband nonunitary triplet pairing with magnetization, and discuss several candidates that indeed stabilize ground states with BFS. We show that with proper choice of the coupling strength of the various orders in our model, spontaneous breaking of C 4 rotational symmetry is realized at low temperatures. This feature resembles the findings of recent angle-resolved photoemission experiments in Fe(Se,S) in the tetragonal phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Strain dependence for microscopic growth parameters for Ag on Ag(100)

I use density functional theory to study the strain dependence of microscopic growth parameters for the growth of Ag on Ag(100). Results are presented for the energy barrier for adatom diffusion, diffusion of adatoms along a step edge, detachment of atoms from a step edge, and dissociation of a dimer. Over a certain range of misfit values, these parameters vary almost linearly with strain. The most surprising result is a qualitatively different behavior for detachment of an atom from a step edge and dimer dissociation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Microscopic model for the ferroelectric field effect in oxide heterostructures

A microscopic model Hamiltonian for the ferroelectric field effect is introduced for the study of oxide heterostructures with ferroelectric components. The long-range Coulomb interaction is incorporated as an electrostatic potential, solved self-consistently together with the charge distribution. A generic double-exchange system is used as the conducting channel, epitaxially attached to the ferroelectric gate. The observed ferroelectric screening effect, namely, the charge accumulation/depletion near the interface, is shown to drive interfacial phase transitions that give rise to robust magnetoelectric responses and bipolar resistive switching, in qualitative agreement with previous density functional theory calculations. The model can be easily adapted to other materials by modifying the Hamiltonian of the conducting channel, and it is useful in simulating ferroelectric field effect devices particularly those involving strongly correlated electronic components where ab initio techniques are difficult to apply.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Microscopic mechanism of low thermal conductivity in lead telluride

The microscopic physics behind low-lattice thermal conductivity of single-crystal rock salt lead telluride (PbTe) is investigated here. Mode-dependent phonon (normal and umklapp) scattering rates and their impact on thermal conductivity were quantified by first-principles-based anharmonic lattice dynamics calculations that accurately reproduce thermal conductivity in a wide temperature range. The low thermal conductivity of PbTe is attributed to the scattering of longitudinal acoustic phonons by transverse optical phonons with large anharmonicity and small group velocity of the soft transverse acoustic phonons. This results in enhancing the relative contribution of optical phonons, which are usually minor heat carriers in bulk materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Manipulation of subsurface carbon nanoparticles in Bi 2 Sr 2 CaCu 2 O 8 + δ using a scanning tunneling microscope

In this study, we present evidence that subsurface carbon nanoparticles in Bi₂Sr₂CaCu₂O 8+δ can be manipulated with nanometer precision using a scanning tunneling microscope. High resolution images indicate that most of the carbon particles remain subsurface after transport observable as a local increase in height as the particle pushes up on the surface. Tunneling spectra in the vicinity of these protrusions exhibit semiconducting characteristics with a band gap of approximately 1.8 eV, indicating that the incorporation of carbon locally alters the electronic properties near the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

NMR Study of the New Magnetic Superconductor CaK(Fe 0:951 Ni0:049) 4 As 4 : Microscopic Coexistence of Hedgehog Spin-vortex Crystal and Superconductivity

Coexistence of a new-type antiferromagnetic (AFM) state, the so-called hedgehog spin-vortex crystal (SVC), and superconductivity (SC) is evidenced by 75 As nuclear magnetic resonance study on single-crystalline CaK(Fe 0:951 Ni0:049) 4 As 4 . The hedgehog SVC order is clearly demonstrated by the direct observation of the internal magnetic induction along the c axis at the As1 site (close to K) and a zero net internal magnetic induction at the As2 site (close to Ca) below an AFM ordering temperature T N ~ 52 K. The nuclear spin-lattice relaxation rate 1/T 1 shows a distinct decrease below T c ~ 10 K, providing also unambiguous evidence for the microscopic coexistence. Furthermore, based on the analysis of the 1/T 1 data, the hedgehog SVC-type spin correlations are found to be enhanced below T ~ 150 K in the paramagnetic state. Furthermore, these results indicate the hedgehog SVC-type spin correlations play an important role for the appearance of SC in the new magnetic superconductor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Sb 121 , 123 nuclear quadrupole resonance as a microscopic probe in the Te-doped correlated semimetal FeSb 2 : Emergence of electronic Griffith phase, magnetism, and metallic behavior

121,123 Sb nuclear quadrupole resonance (NQR) was applied to Fe(Sb 1-x Te x ) 2 in the low doping regime (x = 0 , 0.01, and 0.05) as a microscopic zero field probe to study the evolution of 3d magnetism and the emergence of metallic behavior. Whereas the NQR spectra itself reflects the degree of local disorder via the width of the individual NQR lines, the spin lattice relaxation rate (SLRR) 1/T 1 (T) probes the fluctuations at the Sb site. The fluctuations originate either from conduction electrons or from magnetic moments. In contrast to the semimetal FeSb 2 with a clear signature of the charge and spin gap formation in 1/T 1 (T)T[~exp/(Δk B T)] , the 1% Te-doped system exhibits almost metallic conductivity and the SLRR nicely confirms that the gap is almost filled. A weak divergence of the SLRR coefficient 1/T 1 (T)T ~ T -n ~ T -0.2 points towards the presence of electronic correlations towards low temperatures. This is supported by the electronic specific heat coefficient γ = (C el /T) showing a power-law divergence γ (T) ~ T -m ~ (1/T 1 T) 1/2 ~ T -n/2 ~ C el /T which is expected in the renormalized Landau Fermi liquid theory for correlated electrons. In contrast to that the 5% Te-doped sample exhibits a much larger divergence in the SLRR coefficient showing 1/T 1 (T)T ~ T -0.72 . According to the specific heat divergence a power law with n = 2 m = 0.56 is expected for the SLRR. This dissimilarity originates from admixed critical magnetic fluctuations in the vicinity of antiferromagnetic long range order with 1/T 1 (T)T ~ T -3/4 behavior. Furthermore Te-doped FeSb 2 as a disordered paramagnetic metal might be a platform for the electronic Griffith phase scenario. NQR evidences a substantial asymmetric broadening of the 121,123 Sb NQR spectrum for the 5% sample. Lastly, this has a predominant electronic origin in agreement with the electronic Griffith phase and stems probably from an enhanced Sb-Te bond polarization and electronic density shift towards the Te atom inside Sb-Te dumbbell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Microscopic phase diagram of LaFeAsO single crystals under pressure

We investigated a LaFeAsO single crystal by means of synchrotron Mössbauer spectroscopy under pressure up to 7.5 GPa and down to 13 K and provide a microscopic phase diagram. We found a continuous suppression of the magnetic hyperfine field with increasing pressure and it completely vanishes at ~7.5 GPa which is in contrast to the behavior in polycrystalline samples where the magnetic order vanishes at ~ 20 GPa. The different behavior of the polycrystalline samples might be due to As-vacancies. Our results are in qualitative agreement with density functional theory calculations where a reduction of the magnetic moment with increasing pressure was found. Here, we found that among different samples the magnetic phase transition temperature as well as the low-temperature magnetic hyperfine field decrease with increasing unit cell volume.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microscopic calculation of fission product yields with particle-number projection

Fission fragments' charge and mass distribution is an important input to applications ranging from basic science to energy production or nuclear nonproliferation. In simulations of nucleosynthesis or calculations of superheavy elements, these quantities must be computed from models, as they are needed in nuclei where no experimental information is available. Until now, standard techniques to estimate these distributions were not capable of accounting for fine-structure effects, such as the odd-even staggering of the charge distributions. In this work, we combine a fully microscopic collective model of fission dynamics with a recent extension of the particle number projection formalism to provide the highest-fidelity prediction of the primary fission fragment distributions for the neutron-induced fission of 235 U and 239 Pu. Here, we show that particle-number projection is an essential ingredient to reproduce odd-even staggering in the charge yields and benchmark the performance of various empirical probability laws that could simulate its effect. This new approach also enables for the first time the realistic determination of two-dimensional isotopic yields within nuclear density functional theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Microscopic study of the fusion reactions 40,48 Ca+ 78 Ni and the effect of the tensor force

In this work, we provide a microscopic description of the fusion reactions between 40,48 Ca and 78 Ni. The internuclear potentials are obtained using the density-constrained (DC) time-dependent Hartree-Fock (TDHF) approach and fusion cross sections are calculated via the incoming wave boundary condition method. By performing DC-TDHF calculations at several selected incident energies, the internuclear potentials for both systems are obtained and the energy-dependence of fusion barrier are revealed. The influence of tensor force on internuclear potentials of 48 Ca+ 78 Ni is more obvious than those of 40 Ca+ 78 Ni. By comparing the calculated fusion cross sections between 40 Ca+ 78 Ni and 48 Ca+ 78 Ni, an interesting enhancement of subbarrier fusion cross sections for the former system is found, which can be explained by the narrow width of internuclear potential for 40 Ca+ 78 Ni while the barrier heights and positions are very close to each other. The tensor force suppresses the subbarrier fusion cross sections of both two systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Neutron skin systematics from microscopic equations of state

This paper presents an analysis of neutron skins based on fully microscopic equations of state, including chiral two- and three-nucleon forces consistently at N 3 LO. Other theoretical predictions and recent constraints are also addressed, such as those from the PREX II experiment and the latest parity-violating electron scattering measurement of the 27 Al neutron skin.

Equation of State↗
DOE OSTI2023

α -cluster microscopic study of C 12 + C 12 fusion toward the zero energy limit

The carbon burning process is a fundamental step of stellar evolution and governs the synthesis of chemical elements important for the formation of life. In this work, we utilize the microscopic hybrid α cluster (HαC) model and an analytical approach, both in the framework of the Imaginary Time Method (ITM), to study the carbon fusion reaction towards zero energy. We obtain the values of the cross sections, astrophysical factors and correlate our results to collective motion. We also include a calculation for the 2 + carbon fusion and discuss a possible experimental investigation. Our results confirm direct experimental and theoretical results close to the barrier, while suggest possible 2 + mixtures in the indirect experimental data. Furthermore, our study offers an accurate view of the burning process in the somewhat unexplored low energy region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Microscopic description of large-amplitude shape-mixing dynamics with inertial functions derived in local quasiparticle random-phase approximation

On the basis of the adiabatic self-consistent collective coordinate method, we develop an efficient microscopic method of deriving the five-dimensional quadrupole collective Hamiltonian and illustrate its usefulness by applying it to the oblate-prolate shape coexistence/mixing phenomena in proton-rich {sup 68,70,72}Se. In this method, the vibrational and rotational collective masses (inertial functions) are determined by local normal modes built on constrained Hartree-Fock-Bogoliubov states. Numerical calculations are carried out using the pairing-plus-quadrupole Hamiltonian including the quadrupole-pairing interaction within the two major-shell active model spaces both for neutrons and protons. It is shown that the time-odd components of the moving mean-field significantly increase the vibrational and rotational collective masses in comparison with the Inglis-Belyaev cranking masses. Solving the collective Schroedinger equation, we evaluate excitation spectra, quadrupole transitions, and moments. The results of the numerical calculation are in excellent agreement with recent experimental data and indicate that the low-lying states of these nuclei are characterized as an intermediate situation between the oblate-prolate shape coexistence and the so-called {gamma} unstable situation where large-amplitude triaxial-shape fluctuations play a dominant role.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

High-resolution measurement of the {sup 118,124}Sn(p,t){sup 116,122}Sn reactions: Shell-model and microscopic distorted-wave Born approximation calculations

The {sup 118,124}Sn(p,t){sup 116,122}Sn reactions have been investigated in high-resolution experiments at incident proton energies of 24.6 and 25 MeV, respectively. Angular distributions for 55 transitions to levels of {sup 116}Sn and 63 transitions to levels of {sup 122}Sn, up to excitation energies of {approx}3.850 and {approx}4.000 MeV, respectively, have been measured. The spin and parity identification was carried out by means of a distorted-wave Born approximation (DWBA) analysis, performed by using conventional Woods-Saxon potentials. A shell-model study of {sup 116}Sn and {sup 122}Sn nuclei was performed using a realistic two-body effective interaction derived from the CD-Bonn nucleon-nucleon potential. The doubly magic nucleus {sup 132}Sn was assumed as a closed core, with the 16 and 10 valence neutron holes occupying the five levels of the 50-82 shell. The energy spectra have been calculated and compared with the experimental ones, and the theoretical two-nucleon spectroscopic amplitudes, evaluated in a truncated seniority space, have been used in the microscopic DWBA calculation of some cross-section angular distributions of both reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Schematic microscopic approach to the description of M1 transitions between mixed-symmetry and fully symmetric collective states in {gamma}-soft nuclei based on RPA-IBM boson mapping

A schematic microscopic method is developed to calculate the M1 transition probabilities between the mixed-symmetry and the fully symmetric states in {gamma}-soft nuclei. The method is based on the random-phase approximation-interacting boson model (RPA-IBM) boson mapping of the most collective isoscalar boson. All other boson modes with higher excitation energies, including the mixed-symmetry boson, are described in the framework of RPA. As an example the M1 transition probabilities are calculated for the {sup 124-134}Xe isotopes and compared with the experimental data. The results agree well with the data for the ratio B(M1;1{sub ms}{sup +}{yields}2{sub 2}{sup +})/B(M1;1{sub ms}{sup +}{yields}0{sub 1}{sup +}). However, the calculated ratio B(M1;2{sub ms}{sup +}{yields}2{sub 1}{sup +})/B(M1;1{sub ms}{sup +}{yields}0{sub 1}{sup +}) shows a significantly weaker dependence on the mass number than the experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Semi-microscopic model of pairing in nuclei

A semi-microscopic model for nucleon pairing in nuclei is presented starting from the ab initio BCS gap equation with the Argonne v{sub 18} force and the self-consistent energy density functional method basis characterized by the bare nucleon mass. The BCS theory is formulated in terms of the model space S{sub 0} with the effective pairing interaction calculated from the first principles in the subsidiary space S{sup '}. This effective interaction is supplemented with a small phenomenological addendum containing one phenomenological parameter, universal for all medium and heavy atomic nuclei. We consider the latter as a phenomenological way to take into account approximately both the many-body corrections to the BCS theory and the effective mass effects. For protons, the Coulomb interaction is introduced directly. Calculations made for several isotopic and isotonic chains of semi-magic nuclei are compared with empirical gap values derived from odd-even mass differences. The average disagreement is of the order of 0.1--0.2 MeV. The role of the self-consistent basis is analyzed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Microscopic cluster model of {alpha}+n, {alpha}+p, {alpha}+ {sup 3}He, and {alpha}+{alpha} elastic scattering from a realistic effective nuclear interaction

An effective nucleon-nucleon interaction adapted to cluster-model calculations of collisions is derived from the realistic Argonne potential AV18 with the unitary correlation operator method. The unitary correlation is determined from the {alpha}+{alpha} elastic phase shifts calculated in a cluster approach by the generator coordinate method coupled with the microscopic R-matrix method. With this interaction, the elastic phase shifts for the {alpha}+n, {alpha}+p, and {alpha}+{sup 3}He collisions are calculated within the same model. Without further adjustment, a good agreement with experimental data is obtained with a small model space.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗