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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Wavefront distortion correction in scanning tunneling microscope image

Here, we report an algorithm to identify and correct distorted wavefronts in atomic resolution scanning tunneling microscope images. This algorithm can be used to correct nonlinear in-plane distortions without prior knowledge of the physical scanning parameters, the characteristics of the piezoelectric actuator, or individual atom positions. The 2D image is first defined as a sum of sinusoidal plane waves, where a nonlinear distortion renders a curve for an otherwise ideal linear wavefront. Using the Fourier transforms of local areas of the image, the algorithm generates a wavefront vector field. The identified wavefronts are subsequently linearized for each plane wave without changing lattice orders, giving rise to distortion corrections. Our algorithm is complementary to conventional post-processing algorithms that require prior detection of real space features, which can also be used to correct nonlinear distortions in 2D images acquired by other microscopy techniques.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Quick-connect scanning tunneling microscope head with nested piezoelectric coarse walkers

To meet changing research demands, new scanning tunneling microscope (STM) features must constantly evolve. We describe the design, development, and performance of a modular plug-in STM, which is compact and stable. The STM head is equipped with a quick-connect socket that is matched to a universal connector plug, enabling it to be transferred between systems. This head can be introduced into a vacuum system via a load-lock and transferred to various sites equipped with the connector plug, permitting multi-site STM operation. Its design allows for reliable operation in a variety of experimental conditions, including a broad temperature range, ultra-high vacuum, high magnetic fields, and closed-cycle pulse-tube cooling. The STM’s compact size is achieved by a novel nested piezoelectric coarse walker design, which allows for large orthogonal travel in the X, Y, and Z directions, ideal for studying both bulk and thin film samples ranging in size from mm to μm. Its stability and noise tolerance are demonstrated by achieving atomic resolution under ambient conditions on a laboratory desktop with no vibrational or acoustic isolation. The operation of the nested coarse walkers is demonstrated by successful navigation to a μm-sized 2D sample.

Instruments & Instrumentation↗
DOE OSTI2024

Wehnelt photoemission in an ultrafast electron microscope: Stability and usability

We tested and compared the stability and usability of three different cathode materials and configurations in a thermionic-based ultrafast electron microscope: (1) on-axis thermionic and photoemission from a custom 100 μm diameter LaB 6 source with a graphite guard ring, (2) off-axis photoemission from the Ni aperture surface of the Wehnelt electrode, and (3) on-axis thermionic and photoemission from a custom 200 μm diameter polycrystalline Ta source. For each cathode type and configuration, including the Ni Wehnelt aperture, we illustrate how the photoelectron beam-current stability is deleteriously impacted by simultaneous cooling of the source following thermionic heating. Furthermore, we demonstrate usability via collection of parallel- and convergent-beam electron diffraction patterns and by formation of the optimum probe size. We find that usability of the off-axis Ni Wehnelt-aperture photoemission is at least comparable to on-axis LaB 6 thermionic emission, as well as to on-axis photoemission [the heretofore conventional approach to ultrafast electron microscopy (UEM) in thermionic-based instruments]. However, the stability and achievable beam currents for off-axis photoemission from the Wehnelt aperture were superior to that of the other cathode types and configurations, regardless of the electron-emission mechanism. Beam-current stability for this configuration was found to be ±1% (one standard deviation from the mean) for 70 min (longest duration tested), and steady-state beam current was reached within the sampling-time resolution used here (~1 s) for 15 pA beam currents (i.e., 460 electrons per packet for a 200 kHz repetition rate). Repeatability and robustness of the steady-state condition were also found to be within ±1% of the mean. We discuss the implications of these findings for UEM imaging and diffraction experiments, for pulsed-beam damage measurements, and for practical switching between optimum conventional TEM and UEM operation within the same instrument.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment

Force Field X (FFX) is an open-source software package for atomic resolution modeling of genetic variants and organic crystals that leverages advanced potential energy functions and experimental data. FFX currently consists of nine modular packages with novel algorithms that include global optimization via a many-body expansion, acid–base chemistry using polarizable constant-pH molecular dynamics, estimation of free energy differences, generalized Kirkwood implicit solvent models, and many more. Applications of FFX focus on the use and development of a crystal structure prediction pipeline, biomolecular structure refinement against experimental datasets, and estimation of the thermodynamic effects of genetic variants on both proteins and nucleic acids. The use of Parallel Java and OpenMM combines to offer shared memory, message passing, and graphics processing unit parallelization for high performance simulations. Overall, the FFX platform serves as a computational microscope to study systems ranging from organic crystals to solvated biomolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Integration of scanning probe microscope with high-performance computing: Fixed-policy and reward-driven workflows implementation

The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key elements toward operationalization of the automated SPM are the interface to enable SPM control from Python codes, availability of high computing power, and development of workflows for scientific discovery. Here, we build a Python interface library that enables controlling an SPM from either a local computer or a remote high-performance computer, which satisfies the high computation power need of machine learning algorithms in autonomous workflows. We further introduce a general platform to abstract the operations of SPM in scientific discovery into fixed-policy or reward-driven workflows. Furthermore, our work provides a full infrastructure to build automated SPM workflows for both routine operations and autonomous scientific discovery with machine learning.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Delineation of the impact on temporal behaviors of off-axis photoemission in an ultrafast electron microscope

Efforts to push the spatiotemporal imaging-resolution limits of femtosecond laser-driven ultrafast electron microscopes (UEMs) to the combined angstrom–fs range will benefit from stable sources capable of generating high bunch charges. Recent demonstrations of unconventional off-axis photoemitting geometries are promising, but connections to the observed onset of structural dynamics are yet to be established. Here we use the in-situ photoexcitation of coherent phonons to quantify the relative time-of-flight (r-TOF) of photoelectron packets generated from the Ni Wehnelt aperture and from a Ta cathode set-back from the aperture plane. We further support the UEM experiments with particle-tracing simulations of the precise electron-gun architecture and photoemitting geometries. In this way, we measure discernible shifts in electron-packet TOF of tens of picoseconds for the two photoemitting surfaces. Furthermore, these shifts arise from the impact that the Wehnelt-aperture off-axis orientation has on the electron-momentum distribution, which modifies both the collection efficiency and the temporal-packet distribution relative to on-axis emission. Future needs are identified; we expect this and other developments in UEM electron-gun configuration to expand the range of material phenomena that can be directly imaged on scales commensurate with fundamental structural dynamics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Harnessing quantum light for microscopic biomechanical imaging of cells and tissues

The biomechanical properties of cells and tissues play an important role in our fundamental understanding of the structures and functions of biological systems at both the cellular and subcellular levels. Recently, Brillouin microscopy, which offers a label-free spectroscopic means of assessing viscoelastic properties in vivo, has emerged as a powerful way to interrogate those properties on a microscopic level in living tissues. However, susceptibility to photodamage and photobleaching, particularly when high-intensity laser beams are used to induce Brillouin scattering, poses a significant challenge. This article introduces a transformative approach designed to mitigate photodamage in biological and biomedical studies, enabling nondestructive, label-free assessments of mechanical properties in live biological samples. By leveraging quantum-light-enhanced stimulated Brillouin scattering (SBS) imaging contrast, the signal-to-noise ratio is significantly elevated, thereby increasing sample viability and extending interrogation times without compromising the integrity of living samples. The tangible impact of this methodology is evidenced by a notable three-fold increase in sample viability observed after subjecting the samples to three hours of continuous squeezed-light illumination, surpassing the traditional coherent light-based approaches. The quantum-enhanced SBS imaging holds promise across diverse fields, such as cancer biology and neuroscience where preserving sample vitality is of paramount significance. By mitigating concerns regarding photodamage and photobleaching associated with high-intensity lasers, this technological breakthrough expands our horizons for exploring the mechanical properties of live biological systems, paving the way for an era of research and clinical applications.

Li, Tian↗
DOE OSTI2014

Interstellar simulations using a unified microscopic-macroscopic Monte Carlo model with a full gas-grain network including bulk diffusion in ice mantles

We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach that includes photon penetration and bulk diffusion. To determine the significance of these two processes, we simulate the chemistry with three different models. In Model 1, we use an exponential treatment to follow how photons penetrate and photodissociate ice species throughout the grain mantle. Moreover, the products of photodissociation are allowed to diffuse via bulk diffusion and react within the ice mantle. Model 2 is similar to Model 1 but with a slower bulk diffusion rate. A reference Model 0, which only allows photodissociation reactions to occur on the top two layers, is also simulated. Photodesorption is assumed to occur from the top two layers in all three models. We found that the abundances of major stable species in grain mantles do not differ much among these three models, and the results of our simulation for the abundances of these species agree well with observations. Likewise, the abundances of gas-phase species in the three models do not vary. However, the abundances of radicals in grain mantles can differ by up to two orders of magnitude depending upon the degree of photon penetration and the bulk diffusion of photodissociation products. We also found that complex molecules can be formed at temperatures as low as 10 K in all three models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Probing plasmons in three dimensions by combining complementary spectroscopies in a scanning transmission electron microscope

The nanoscale optical response of surface plasmons in three-dimensional metallic nanostructures plays an important role in many nanotechnology applications, where precise spatial and spectral characteristics of plasmonic elements control device performance. Electron energy loss spectroscopy (EELS) and cathodoluminescence (CL) within a scanning transmission electron microscope have proven to be valuable tools for studying plasmonics at the nanoscale. Each technique has been used separately, producing three-dimensional reconstructions through tomography, often aided by simulations for complete characterization. Here we demonstrate that the complementary nature of the two techniques, namely that EELS probes beam-induced electronic excitations while CL probes radiative decay, allows us to directly obtain a spatially- and spectrally-resolved picture of the plasmonic characteristics of nanostructures in three dimensions. Furthermore, the approach enables nanoparticle-by-nanoparticle plasmonic analysis in three dimensions to aid in the design of diverse nanoplasmonic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The hydrogen molecule under the reaction microscope: single photon double ionization at maximum cross section and threshold (doubly differential cross sections)

In this paper, we studied the photo double ionization of hydrogen molecules in the threshold region (50 eV) and the complete photo fragmentation of deuterium molecules at maximum cross section (75 eV) with single photons (linearly polarized) from the Advanced Light Source, using the reaction microscope imaging technique. The 3D-momentum vectors of two recoiling ions and up to two electrons were measured in coincidence. We present the kinetic energy sharing between the electrons and ions, the relative electron momenta, the azimuthal and polar angular distributions of the electrons in the body-fixed frame. We also present the dependency of the kinetic energy release in the Coulomb explosion of the two nuclei on the electron emission patterns. We find that the electronic emission in the body-fixed frame is strongly influenced by the orientation of the molecular axis to the polarization vector and the internuclear distance as well as the electronic energy sharing. Finally, traces of a possible breakdown of the Born–Oppenheimer approximation are observed near threshold.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

From the microscopic to the macroscopic world: from nucleons to neutron stars

Recent observations of neutron-star properties, in particular the recent detection of gravitational waves emitted from binary neutron stars, GW170817, open the way to put strong constraints on nuclear interactions. In this paper, we review the state of the art in calculating the equation of state of strongly interacting matter from first principle calculations starting from microscopic interactions among nucleons. As a result, we then review selected properties of neutron stars that can be directly compared with present and future observations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

OH density, flux and loss probability measurements in a room temperature atmospheric pressure surface discharge by microscopic laser induced fluorescence

Many applications involving atmospheric pressure plasma-substrate interactions are enabled by the large fluxes of short-lived reactive species such as OH radicals to the substrate, nonetheless, the accurate measurement of radical densities and fluxes at substrates at atmospheric pressure has received little attention to date, particularly for surface ionization waves. We report the measurement of the OH density distribution in a surface discharge on a fused silica (quartz) substrate generated by an impinging atmospheric pressure plasma jet in dry and humid helium. The OH density is measured by microscopic laser induced fluorescence with a spatial resolution of 10 µm in the direction perpendicular to the quartz substrate. The measured OH diffusive flux varied for the investigated experimental conditions by almost three orders of magnitude and had a maximum value of 1.7 × 10 15 cm -2 s -1 . The corresponding surface loss probability of OH on the quartz surface was determined to be ~0.01. The high spatial resolution was required to accurately resolve the near surface gradient of OH radicals.

plasma-surface interactions↗
DOE OSTI2025

The Auger Radioisotope Microscope: an instrument for characterization of Auger electron multiplicities and energy distributions

We describe a new instrument, the Argonne Auger Radioisotope Microscope (ARM), capable of characterizing the Auger electron (AE) emission of radionuclides, including candidates relevant in nuclear medicine. Our approach relies on event-by-event ion–electron coincidence, time-of-flight, and spatial readout measurement to determine correlated electron multiplicity and energy distributions of Auger decays. We present a proof-of-principle measurement with the ARM using x-ray photoionization of stable krypton beyond the K-edge and identify a bifurcation in the electron multiplicity distribution depending on the emission of K-LX electrons. Extension of the ARM to the characterization of radioactive sources of AE emissions is enabled by the combination of two recent developments: (1) cryogenic buffer gas beam technology to introduce Auger emitters into the detection region with well-defined initial conditions, and (2) large-area micro-channel plate detectors with multi-hit detection capabilities to simultaneously detect multiple electrons emitted in a single decay.

Auger emitters↗
DOE OSTI2021

Spin-glass dynamics in the presence of a magnetic field: exploration of microscopic properties

The synergy between experiment, theory, and simulations enables a microscopic analysis of spin-glass dynamics in a magnetic field in the vicinity of and below the spin-glass transition temperature T g . The spin-glass correlation length, ξ(t, t w ; T), is analysed both in experiments and in simulations in terms of the waiting time t w after the spin glass has been cooled down to a stabilised measuring temperature T < T g and of the time t after the magnetic field is changed. This correlation length is extracted experimentally for a CuMn 6 at. % single crystal, as well as for simulations on the Janus II special-purpose supercomputer, the latter with time and length scales comparable to experiment. The non-linear magnetic susceptibility is reported from experiment and simulations, using ξ(t, t w ; T) as the scaling variable. Previous experiments are reanalysed, and disagreements about the nature of the Zeeman energy are resolved. The growth of the spin-glass magnetisation in zero-field magnetisation experiments, M ZFC (t, t w ; T), is measured from simulations, verifying the scaling relationships in the dynamical or non-equilibrium regime. Lastly, our preliminary search for the de Almeida–Thouless line in D = 3 is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

THE NONLINEAR AND NONLOCAL LINK BETWEEN MACROSCOPIC ALFVÉNIC AND MICROSCOPIC ELECTROSTATIC SCALES IN THE SOLAR WIND

The local heating of the solar-wind gas during its expansion represents one of the most intriguing problems in space plasma physics and is at present the subject of a relevant scientific effort. The possible mechanisms that could account for local heat production in the interplanetary medium are most likely related to the turbulent character of the solar-wind plasma. Nowadays, many observational and numerical analyses are devoted to the identification of fluctuation channels along which energy is carried from large to short wavelengths during the development of the turbulent cascade; these fluctuation channels establish the link between macroscopic and microscopic scales. In this Letter, by means of a quantitative comparison between in situ measurements in the solar wind from the STEREO spacecraft and numerical results from kinetic simulations, we identify an electrostatic channel of fluctuations that develops along the turbulent cascade in a direction parallel to the ambient magnetic field. This channel appears to be efficient in transferring the energy from large Alfvénic to short electrostatic acoustic-like scales up to a range of wavelengths where it can finally be turned into heat, even when the electron to proton temperature ratio is of the order of unity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Single Electron Self-coherence and Its Wave/Particle Duality in the Electron Microscope

Intensities in high-resolution phase-contrast images from electron microscopes build up discretely in time by detecting single electrons. A wave description of pulse-like coherent-inelastic interaction of an electron with matter implies a time-dependent coexistence of coherent partial waves. Their superposition forms a wave package by phase decoherence of 0.5 - 1 radian with Heisenbergs energy uncertainty ΔE H = $\hbar$/2 Δt -1 matching the energy loss ΔE of a coherent-inelastic interaction and sets the interaction time Δt. In these circumstances, the product of Planck's constant and the speed of light hc is given by the product of the expression for temporal coherence λ 2 /Δλ and the energy loss ΔE. Experimentally, the self-coherence length was measured by detecting the energy-dependent localization of scattered, plane matter waves in surface proximity exploiting the Goos–Hänchen shift. Chromatic-aberration Cc-corrected electron microscopy on boron nitride (BN) proves that the coherent crystal illumination and phase contrast are lost if the self-coherence length shrinks below the size of the crystal unit cell at ΔE > 200 eV. Finally, in perspective, the interaction time of any matter wave compares with the lifetime of a virtual particle of any elemental interaction, suggesting the present concept of coherent-inelastic interactions of matter waves might be generalizable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Microscopic changes governing melting anisotropy: Real-time nanosecond x-ray diffraction

To understand the microscopic origins governing melting anisotropy, in-situ x-ray diffraction (XRD) measurements were obtained in aluminum single crystals shocked along $\langle$100$\rangle$ and $\langle$110$\rangle$ to stresses below and above the melting threshold for each orientation. XRD results and analysis for the two orientations showed significant differences in the microstructure prior to the melting threshold stresses, demonstrating the key role of deformation induced microstructure – in addition to temperature and pressure – on the melting transition. As a result, our findings make a strong case for reconsidering theoretical approaches to melting, specifically for dislocation mediated melting, in shock compressed solids.

crystal melting↗
DOE OSTI2025

Efficiently Measuring 𝑑-Wave Pairing and Beyond in Quantum Gas Microscopes

Understanding the mechanism of high-temperature superconductivity is among the most important problems in physics, one for which quantum simulation can provide new insights. However, it remains challenging to characterize superconductivity in existing cold-atom quantum simulation platforms. Here, in this work, we introduce a protocol for measuring a broad class of observables in fermionic quantum gas microscopes, including long-range superconducting pairing correlations (after a repulsive-to-attractive mapping). The protocol only requires global controls followed by site-resolved particle number measurements—capabilities that have been already demonstrated in multiple experiments—and is designed by analyzing the Hilbert space of fermions on two sites. The protocol is sample-efficient and we further optimize our pulses for robustness to experimental imperfections such as lattice inhomogeneity. Our Letter introduces a general tool for manipulating quantum states on optical lattices, enhancing their ability to tackle problems such as high-temperature superconductivity.

Hubbard model↗