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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.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Binary pseudo-random patterned structures for modulation transfer function calibration and resolution characterization of a full-field transmission soft x-ray microscope

We present a modulation transfer function (MTF) calibration method based on binary pseudo-random (BPR) one-dimensional sequences and two-dimensional arrays as an effective method for spectral characterization in the spatial frequency domain of a broad variety of metrology instrumentation, including interferometric microscopes, scatterometers, phase shifting Fizeau interferometers, scanning and transmission electron microscopes, and at this time, x-ray microscopes. The inherent power spectral density of BPR gratings and arrays, which has a deterministic white-noise-like character, allows a direct determination of the MTF with a uniform sensitivity over the entire spatial frequency range and field of view of an instrument. We demonstrate the MTF calibration and resolution characterization over the full field of a transmission soft x-ray microscope using a BPR multilayer (ML) test sample with 2.8 nm fundamental layer thickness. We show that beyond providing a direct measurement of the microscope’s MTF, tests with the BPRML sample can be used to fine tune the instrument’s focal distance. Our results confirm the universality of the method that makes it applicable to a large variety of metrology instrumentation with spatial wavelength bandwidths from a few nanometers to hundreds of millimeters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables, we select the position of the nanoparticle and the total mass and momentum density field of the fluid, which are locally conserved slow variables because they are defined to include the contribution of the nanoparticle. The theory of coarse graining based on the Zwanzing projection operator leads us to a system of stochastic ordinary differential equations that are closed in the relevant variables. We demonstrate that our discrete coarse-grained equations are consistent with a Petrov-Galerkin finite-element discretization of a system of formal stochastic partial differential equations which resemble previously used phenomenological models based on fluctuating hydrodynamics. Key to this connection between our “bottom-up” and previous “top-down” approaches is the use of the same dual orthogonal set of linear basis functions familiar from finite element methods (FEMs), both as a way to coarse-grain the microscopic degrees of freedom and as a way to discretize the equations of fluctuating hydrodynamics. Another key ingredient is the use of a “linear for spiky” weak approximation which replaces microscopic “fields” with a linear FE interpolant inside expectation values. For the irreversible or dissipative dynamics, we approximate the constrained Green-Kubo expressions for the dissipation coefficients with their equilibrium averages. Under suitable approximations, we obtain closed approximations of the coarse-grained dynamics in a manner which gives them a clear physical interpretation and provides explicit microscopic expressions for all of the coefficients appearing in the closure. Our work leads to a model for dilute nanocolloidal suspensions that can be simulated effectively using feasibly short molecular dynamics simulations as input to a FEM fluctuating hydrodynamic solver.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The National Ignition Facility modular Kirkpatrick-Baez microscope

Current two-dimensional X-ray imaging at the National Ignition Facility (NIF) uses time resolved pinhole cameras with ∼10-25 μm pinholes. This method has limitations in the smallest resolvable features that can be imaged with reasonable photon statistics for inertial confinement fusion (ICF) applications. ICF sources have a broadband self-emission spectrum that causes the pinhole images obtained, through thin foil filters, to contain a similarly broadband spectrum complicating the interpretation of structure in the source. In order to study phenomena on the scale of ∼5 μm, such as dopant mix in the ICF capsule, a narrow energy band, higher spatial resolution microscope system with improved signal/noise has been developed using X-ray optics. Utilizing grazing incidence mirrors in a Kirkpatrick-Baez microscope (KBM) configuration [P. Kirkpatrick and A. V. Baez, J. Opt. Soc. Am. 38, 766–774 (1948)], an X-ray microscope has been designed and fielded on NIF with four imaging channels. The KBM has ∼12 × magnification, <8 μm resolution, and higher throughput in comparison to similar pinhole systems. The first KBM mirrors are coated with a multilayer mirror to allow a “narrow band” energy response at 10.2 keV with ΔE ∼ 3 keV. By adjusting the mirror coating only, the energy response can be matched to the future experimental requirements. Several mirror packs have been commissioned and are interchangeable in the diagnostic snout.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Quantitative Defect Analysis of Ablator Capsule Surfaces Using a Leica Confocal Microscope and a High-Density Atomic Force Microscope

High-density carbon (HDC) is being evaluated as an alternative to the current National Ignition Facility (NIF) point-design ablator material (glow discharge plasma, or GDP, plastic) due to its high density and optimal opacity, which leads to a higher implosion velocity. Chemical-vapor-deposition-coated HDC capsules have a near perfect surface figure but a microscopically rough surface. After polishing, the surface becomes smooth at nanometer scales but has numerous micron-sized surface pits, whose volumes, morphology, and distribution must be quantified to guide NIF target selection. Traditional metrology tools for GDP surface defects, such as the atomic force microscope (AFM) based Spheremapper and a phase-shifting differential interferometer, lack the resolution to characterize these localized features. In this paper, we describe how this metrology challenge is met by developing automated surface metrology solutions based on a high-density (HD) AFM and a Leica confocal microscope. Furthermore, these tools are complementary in nature. HD-AFM has a 0.1-μm spatial resolution and determines the overall shape distortion and pit statistics by tracing great circles on a capsule with high throughput.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Microscopic origin of volume modulus inflation

High-scale string inflationary models are in well-known tension with low-energy supersymmetry. A promising solution involves models where the inflaton is the volume of the extra dimensions so that the gravitino mass relaxes from large values during inflation to smaller values today. We describe a possible microscopic origin of the scalar potential of volume modulus inflation by exploiting non-perturbative effects, string loop and higher derivative perturbative corrections to the supergravity effective action together with contributions from anti-branes and charged hidden matter fields. We also analyse the relation between the size of the flux superpotential and the position of the late-time minimum and the inflection point around which inflation takes place. We perform a detailed study of the inflationary dynamics for a single modulus and a two moduli case where we also analyse the sensitivity of the cosmological observables on the choice of initial conditions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Direct Nanoscale Characterization of Deep Levels in AgCuInGaSe 2 Using Electron Energy–Loss Spectroscopy in the Scanning Transmission Electron Microscope

A new experimental framework for the characterization of defects in semiconductors is demonstrated. Through the direct, energy-resolved correlation of three analytical techniques spanning six orders of magnitude in spatial resolution, a critical mid-bandgap electronic trap level (E V + 0.56 eV) within Ag 0.2 Cu 0.8 In 1–x Ga x Se 2 is traced to its nanoscale physical location and chemical source. This is achieved through a stepwise, site-specific correlated characterization workflow consisting of device-scale (≈1 mm 2 ) deep level transient spectroscopy (DLTS) to survey the traps present, scanning probe–based DLTS (scanning-DLTS) for mesoscale-resolved (hundreds of nanometers) mapping of the target trap state’s spatial distribution, and scanning transmission electron microscope based electron energy-loss spectroscopy (STEM-EELS) and X-ray energy-dispersive spectroscopy for nanoscale energy-, structure, and chemical-resolved investigation of the defect source. Furthermore, this first demonstration of the direct observation of sub-bandgap defect levels via STEM-EELS, combined with the DLTS methods, provides strong evidence that the longsuspected Cu In/Ga substitutional defects are indeed the most likely source of the E V + 0.56 eV trap state and serves as a key example of this approach for the fundamental identification of defects within semiconductors, in general.

14 SOLAR ENERGY↗
DOE OSTI2021

Integrating computation and experiment to investigate photoelectrodes for solar water splitting at the microscopic scale.

CONSPECTUS: Photoelectrochemical water-splitting is a promising and sustainable way to store the energy of the sun in chemical bonds and use it to produce hydrogen gas, a clean fuel. The key components in photoelectrochemical cells (PECs) are photoelectrodes, including a photocathode that reduces water to hydrogen gas and a photoanode that oxidizes water to oxygen gas. Materials used in photoelectrodes for PECs must effectively absorb sunlight, yield photogenerated carriers, and exhibit electronic properties that enable the efficient shuttling of carriers to the surface to participate in relevant water-splitting reactions. Discovering and understanding the key characteristics of optimal photoelectrode materials is paramount to the realization of PEC technologies. Oxide-based photoelectrodes can satisfy many of these materials requirements, including stability in aqueous environments, band edges with reasonable alignment with the redox potentials for water splitting, and ease of synthesis. However, oxide photoelectrodes generally suffer from poor charge transport properties and considerable bulk electron-hole separation, and they have relatively large band gaps. Numerous strategies have been proposed to improve these aspects and understand how these improvements are reflected in the photoelectrochemical performance. Unfortunately, the structural and compositional complexity of multinary oxides accompanied by the inherent complexity of photoelectrochemical processes makes it challenging to understand the individual effects of composition, structure, and defects in the bulk and on the surface on a material's photoelectrochemical properties. The integration of experiment and theory has great potential to increase our atomic-level understanding of structure-composition-property relationships in oxide photoelectrodes. In this Account, we describe how integrating experiment and theory is beneficial for achieving scientific insights at the microscopic scale. We highlight studies focused on understanding the role of (i) bulk composition via solid-state solutions, intercalation, and comparison with isoelectronic compounds, (ii) dopants for both the anion and cation and their interactions with oxygen vacancies, and (iii) surface/interface structure in the photocurrent generation and photoelectrochemical performance in oxide photoelectrodes. In each instance, we outline strategies and considerations for integrating experiment and theory and describe how this integration led to valuable insights and new directions in uncovering structure-composition-property relationships. Our aim is to demonstrate the unique value of combining experiment and theory in studying photoelectrodes and to encourage the continued effort to bring experiment and theory in closer step with each other.

Wang, Wennie↗
DOE OSTI2016

Microscopic parameters from high-resolution specific heat measurements on superoptimally substituted BaFe 2 ( As 1 - x P x ) 2 single crystals

We investigate the electronic specific heat of superoptimally substituted BaFe 2 (As 1-x P x ) 2 single crystals in the superconducting state using high-resolution nanocalorimetry. From the measurements, we extract the substitution dependence of the condensation energy, superconducting gap Δ, and related microscopic parameters. We find that the anomalous scaling of the specific heat jump ΔC ∝ to T$3\atop{c}$ , found in many iron-based superconductors, in this system originates from a T c -dependent ratio Delta/k B T c in combination with a substitution-dependent density of states N(epsilon(F)). A clear enhancement is seen in the effective mass m* as the composition approaches the value that has been associated with a quantum critical point at optimum substitution. However, a simultaneous increase in the superconducting carrier concentration n s yields a penetration depth lambda that decreases with increasing T c without sharp divergence at the quantum critical point. Uemura scaling indicates that T c is governed by the Fermi temperature T F for this multiband system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Influence of humidity on performance and microscopic dynamics of an ionic liquid in supercapacitor

We investigated the influence of water molecules on the diffusion, dynamics, and electrosorption of a room temperature ionic liquid (RTIL), [BMIm + ][Tf 2 N - ], confined in carbide-derived carbon with a bimodal nanoporosity. Water molecules in pores improved the charge storage densities and rate handling abilities of these materials in supercapacitor electrode configurations. We measured the water-dependent microscopic dynamics of the RTIL cations using quasi-elastic neutron scatting (QENS). The ionic liquid demonstrated greater mobility with increasing water uptake, facilitated by the nanoporous carbon environment, up to a well-defined saturation point. We concluded that water molecules displaced RTIL ions attached to the pore surfaces and improved the diffusivity of the displaced cations. This effect consequently increased capacitance and rate handling of the electrolyte in water-containing pores. Our findings suggest the possible effect of immiscible co-solvents on energy and power densities of energy storage devices, as well as the operating viability of non-aqueous supercapacitor electrolytes in humid environments.

36 MATERIALS SCIENCE↗