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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Strain-Induced asymmetry and on-site dynamics of silicon defects in graphene

In the last decade, the atomically-focused electron beams utilized in scanning transmission electron microscopes (STEMs) have been shown to induce a broad set of local structural transformations in materials, opening pathways for directing material synthesis and modification atom-by-atom. The mechanisms underlying these transformations remain largely unknown, due to the intractability of modeling the myriad of reaction pathways that can be accessed through high-energy electron scattering. The information on materials’ structure and dynamics that can be extracted from STEM images is similarly left underexplored. Here, we report the observation of anomalous on-site dynamics of individual silicon impurity atoms in graphene during STEM imaging. Density functional theory-based structural optimizations of anisotropically-strained molecular nanographenes reveal two distinct (but nearly degenerate) stable structures for four-fold coordinated silicon impurities, where interconversion between the two structures manifests slight changes of the silicon position within the lattice site. Implications for defect-based strain engineering in graphene are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impacts of Focused Ion Beam Processing on the Fabrication of Nanoscale Functionalized Probes

Herein, we examine the impact of Ga + ion kinetic energy and the target material type on the extent of ion implantation and structural damage in atomic force microscopy probes made of Al 2 O 3 and ZnO manufactured by focused ion beam (FIB) using scanning transmission electron microscopy and energy-dispersive X-ray mapping. Penetration of Ga into the Al 2 O 3 lattice induced structural distortions and amorphization. For ZnO probes, Ga is uniformly dispersed across the surface, resulting in the formation of distinct clusters. Atom probe tomography further validates the Ga distributions in Al 2 O 3 and ZnO nanoprobes. Complementary Monte Carlo simulations with the transport of ions in the matter program indicated that the introduction of Ga + prompts the generation of cation and anion vacancies, an occurrence more pronounced in Al 2 O 3 compared to ZnO. In conclusion, this study not only enriches the knowledge of ion-matter interactions, but also serves as a practical guide for the fabrication of nanoscale functionalized AFM probes.

Al2O3↗
DOE OSTI2021

Single Particle Cathodoluminescence Spectroscopy with Sub-20 nm, Electron-Stable Phosphors

Lanthanide-doped nanophosphors have emerged as promising optical labels for high-resolution, "multicolor"electron microscopy. Here, we develop a library of 11 unique lanthanide-doped nanophosphors with average edge lengths of 15.2 ± 2.0 nm (N = 4284). These nanophosphors consist of an electron-stable BaYF5 host lattice doped at 25% atomic concentration with the lanthanides Pr 3+ , Nd 3+ , Sm 3+ , Eu 3+ , Tb 3+ , Dy 3+ , Ce 3+ , Ho 3+ , Er 3+ , Tm 3+ , and Yb 3+ . Under ~100 pA/nm 2 beam beam current in a transmission electron microscope, each nanophosphor species exhibits strong cathodoluminescence spectra with sharp characteristic emission lines for each lanthanide. The bright emission and stability of these nanoparticles enable not only ensemble, but also single-particle cathodoluminescence spectroscopy, which we demonstrate with BaYF 5 :Ln 3+ , where Ln 3+ = Tb 3+ , Ho 3+ , Er 3+ , Sm 3+ , Eu 3+ , or Pr 3+ . Single-particle cathodoluminescence corresponds directly with HAADF intensity across nanoparticles, confirming high spatial localization of the measured cathodoluminescence signal of lanthanide-doped nanophosphors. Furthermore, our synthesis and characterization of sub-20 nm, electron-stable nanophosphors provides a robust material platform to achieve single-molecule labeled correlative cathodoluminescence electron microscopy, a critical foundation for high-resolution correlation of single molecules within the context of cellular ultrastructure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Statistically elucidated responses from low-signal contrast mechanisms in ultrafast electron microscopy

The emergence of ultrafast electron microscopy (UEM) has enabled the discovery of strongly correlated dynamic mechanisms, including electron–phonon coupling, structural phase transitions, thermal transport, and electromagnetic deflection. Most UEM systems operate stroboscopically, meaning that the technique is susceptible to artifacts, mistakes, and misinterpretation of the data due to extensive experimental effort. In contrast to the ultrafast designation, data acquisition is extraordinarily slow because the electron beam has significantly reduced signal compared to traditional transmission electron microscopy due to pulsing the electron beam. Consequently, the sample may drift, tilt, or undergo irreversible structural changes that are independent of the time-resolved dynamics throughout the experimental time frame. Furthermore, these datasets require significant user interpretation that can be problematic when proper controls are not implemented thoroughly. Here, we demonstrate a new algorithm designed to separate ultrafast structural dynamics from long-term artifacts using a LiNbO 3 sample experiencing electrically driven surface acoustic wave propagation. Additionally, we provide examples of the impact of user bias when analyzing the data and provide a methodology, which enables the extraction of time-resolved responses when the image signal is extraordinarily low. Overall, the goal of this publication is to provide methods that validate the experimental results and reduce researcher biases during UEM data interpretation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Exploring electron beam induced atomic assembly via reinforcement learning in a molecular dynamics environment

We report atom-by-atom assembly of functional materials and devices is perceived as one of the ultimate targets of nanotechnology. Recently it has been shown that the beam of a scanning transmission electron microscope can be used for targeted manipulation of individual atoms. However, the process is highly dynamic in nature rendering control difficult. One possible solution is to instead train artificial agents to perform the atomic manipulation in an automated manner without need for human intervention. As a first step to realizing this goal, we explore how artificial agents can be trained for atomic manipulation in a simplified molecular dynamics environment of graphene with Si dopants, using reinforcement learning. We find that it is possible to engineer the reward function of the agent in such a way as to encourage formation of local clusters of dopants under different constraints. This study shows the potential for reinforcement learning in nanoscale fabrication, and crucially, that the dynamics learned by agents encode specific elements of important physics that can be learned.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Towards Mitigating Electron Beam-Induced Damage in MOFs Using Low Dose Electron Microscopy for In-Situ Room-Temperature Measurements

Metal-Organic Frameworks (MOFs) have emerged as a versatile class of materials with applications in gas storage and separation, catalysis, and drug delivery [1]. Understanding their damage mechanisms in under various environmental conditions is crucial for optimizing performance and stability [2]. This study employs a combination of Length Structural Coherence (LSC) analysis in electron scattering and Electron Energy Loss Spectroscopy (EELS) to elucidate the damage mechanisms in two representative MOFs. MIL101(Fe), and MIL101(Cr). Here, the primary objective is to reveal structural and chemical changes that occur under electron beam irradiation in Scanning Transmission Electron Microscopy (STEM), both in the pristine state and during in-situ CO and CO 2 adsorption. By combining LSC in Radial Distribution Function (RDF) analysis with EELS, comprehensive insights into the nanoscale alterations are obtained and correlated to the electron dose rate.

dos Santos, Gabriel T. [Northwestern University, E↗
DOE OSTI2025

Electron Beam-Induced Phase Transformations in Different Crystal Orientations of a 2D van der Waals Magnet

To control materials properties at the nanoscale, the well-focused electron beam of the scanning transmission electron microscope (STEM) can be used as a tool to engineer structure with atomic precision. For 2D magnets, especially the highly anisotropic materials AgCrP2S6 and CrSBr, we find here that the STEM serves as a powerful tool for sculpting the arrangement of atoms, with the potential to modulate local magnetic properties.

Park, Eugene [Massachusetts Inst. of Technology (M↗
DOE OSTI2026

Electron-irradiation induced creep in amorphous alloys

Electron-irradiation induced creep rates in amorphous alloys, a-SiO2, Fe79B16Si5, Cu60Ta40, and Cu50Ti50, were measured at room temperature using a miniaturized beam-bending apparatus within a transmission electron microscope operated at 200 keV. The creep rates of these amorphous samples increased nearly linearly with both e-beam current density and applied stress, while a reference crystalline (c-)SiO2 sample failed to creep under the same conditions. The irradiation induced creep compliance of a-SiO2 was ~ 15 times larger than that of Fe79B16Si5 and over 1,000 times larger than that of the two Cu alloys. Molecular dynamics computer simulations were employed to simulate electron irradiation induced creep using interatomic potentials representing amorphous Cu75Zr25, Ni80P20, and SiO2 as model systems. The irradiation induced creep compliances calculated for Cu75Zr25 during 200 keV electron irradiation provided good quantitative agreement with the two Cu-based alloys, but that for a-SiO2 was ~ 180 times too small. These results indicate that unlike neutron or ion-beam induced creep in a-SiO2, creep under electron irradiation is dominated by the effects of ionization owing largely to the far higher ratio of electronic stopping to nuclear stopping for electrons than for ions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electron beam heating as a tool for fabricating lattice engineered crystals in glass [Invited]

Laser heating is well-established to impart optical functionality into glass by local modification and crystallization. In this paper, we demonstrate electron beam heating in scanning and transmission microscopes as an alternative for the local crystallization of Sb 2 S 3 in Sb-S-I glasses as a model system. Governed by different absorption physics, the electron beam expands morphological control of crystal cross section relative to laser, producing nanoscale (∼50 nm) single crystal architectures. We also report the effects of accelerating voltage and probe current and characterize the curved lattice of crystals formed in glass with electron diffraction techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Photon-shot-noise-limited transient absorption soft X-ray spectroscopy at the European XFEL

Femtosecond transient soft X-ray absorption spectroscopy (XAS) is a very promising technique that can be employed at X-ray free-electron lasers (FELs) to investigate out-of-equilibrium dynamics for material and energy research. Here, a dedicated setup for soft X-rays available at the Spectroscopy and Coherent Scattering (SCS) instrument at the European X-ray Free-Electron Laser (European XFEL) is presented. It consists of a beam-splitting off-axis zone plate (BOZ) used in transmission to create three copies of the incoming beam, which are used to measure the transmitted intensity through the excited and unexcited sample, as well as to monitor the incoming intensity. Since these three intensity signals are detected shot by shot and simultaneously, this setup allows normalized shot-by-shot analysis of the transmission. For photon detection, an imaging detector capable of recording up to 800 images at 4.5 MHz frame rate during the FEL burst is employed, and allows a photon-shot-noise-limited sensitivity to be approached. The setup and its capabilities are reviewed as well as the online and offline analysis tools provided to users.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Passive Environment-Assisted Quantum Communication with GKP States

Bosonic pure-loss channel, which represents the process of photons decaying into a vacuum environment, has zero quantum capacity when the channel’s transmissivity is less than 50%. Modeled as a beam splitter interaction between the system and its environment, the performance of bosonic pure-loss channel can be enhanced by controlling the environment state. We show that by choosing the ideal Gottesman-Kitaev-Preskill (GKP) states for the system and its environment, perfect transmission of quantum information through a beam splitter is achievable at arbitrarily low transmissivities. Our explicit constructions allow for experimental demonstration of the improved performance of a quantum channel through passive environment assistance, which is potentially useful for quantum transduction where the environment state can be naturally controlled. In practice, it is crucial to consider finite-energy constraints, and high-fidelity quantum communication through a beam splitter remains achievable with GKP states at the few-photon level.

Wang, Zhaoyou [Univ. of Chicago, IL (United States↗
DOE OSTI2020

Diffractive optical elements for multiplexing structured laser beams

We consider methods for obtaining a multitude of structured laser beams (multiplexing) from an illuminating beam (both structured and unstructured) with the help of diffractive optical elements (DOEs). An approach of ‘intelligent multiplexing’ is proposed to describe and develop the methods. A DOE is calculated that forms a set of five diffraction orders located in a line. An example of focusing a set of doughnut-shaped azimuthally polarised laser beams using a diffraction beam splitter is presented. Efficient multiplexing of first-order vortex beams in a two-dimensional region is implemented by a two-dimensional diffraction grating. An approach is proposed and realised in which the transmission functions of a two-dimensional diffraction beam splitter and the elements forming structured laser beams with specified parameters are combined into the transmission function of one element. Such DOEs can be used in optical communication systems for encoding and decoding data. The possibility of using binary curved fork-shaped gratings for the formation of doughnut-shaped three-dimensional vortex beams, which are detected outside the focal plane, is demonstrated. This approach provides additional advantages for safe data transmission; it can be used in laser processing of materials and in laser manipulation applications. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Monochromation of pulsed electron beams with terahertz radiation at a planar mirror

Exquisite control of electron beam energy is required for many electron spectroscopy and imaging applications. For both continuous and pulsed beams, the beam energy spread is fundamentally limited by the electron source, and is typically a sizable fraction of an electron-volt. In this paper, we present a means to reduce electron beam energy spread after emission to the level of a few 10s of meV rms using femtosecond photoemission and an interaction with laser-derived single- to few-cycle terahertz (THz) radiation. We show analytically and in particle tracking simulations that this interaction can remove energy spread stored in both the transverse and longitudinal degrees of freedom. We analytically formulate the limit of energy spread that this technique can achieve, and map the non-ideal affects arising at high frequencies. The interaction is mediated by the beam's passage through a mirror which is reflective to terahertz radiation but allows transmission of the majority of the electron beam (e.g. a wire mesh). This method then only requires beam current losses of a few tens of percent, far smaller than what is achieved in prism and slit-based electron monochromators.

Accelerator Physics (physics.acc-ph)↗
DOE OSTI2024

Under the microscope: Reduced activation ferritic martensitic steel Eurofer-97 following ion-Irradiation and high-temperature high-pressure water exposure

Here, this study is designed to characterise the microstructural behaviour of Eurofer-97 steel under ion irradiation and subsequent exposure to high-temperature high-pressure (HTHP) water. Eurofer-97, a ferritic-martensitic steel, has been developed to withstand the conditions of fusion reactors in the locations in contact with coolant with an elevated level of neutron flux, such as the breeder-wall blanket. The material has been studied after self-ion irradiation (using Fe ions) simulating the microstructural effects of neutron irradiation limited to the subsurface layer. The corrosion properties of the Eurofer-97 steel were studied by exposure to HTHP water up to 331 °C. Advanced microstructural characterisation using scanning, transmission electron and focused ion beam microscopy was performed on the as-received microstructure and after ion irradiation. This was then characterised after exposure for 240 h in high-temperature water. Eurofer-97 had a dense, columnar Cr-rich inner oxide, followed by a Fe-rich outer oxide layer. In the irradiated condition the grain structure and oxide itself was less ordered. No appreciable difference in oxide thickness was identified between the irradiated and unirradiated specimens after this short exposure time.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Direct observation of oxygen vacancy ordering evolution in cerium oxide at varying concentrations via high-resolution transmission electron microscopy

Under illumination by a 300 keV electron beam, oxygen vacancy ordering structures are induced within cerium oxide grains. Here, our high-resolution transmission electron microscopy (HRTEM) study, supported by image simulation, reveals the evolution of these structures as vacancy concentration increases. The observed fluorite-type superlattice structures are identified as CeO 1.825 , CeO 1.75 , Ce 2 O 3 , displaying a gradient in oxygen vacancy concentration moving away from the grain surface. Correspondingly, the structural sequence transitions from Ce 2 O 3 to CeO 1.75 and then to CeO 1.825 . Without the constraints of surrounding grains, fluorite-type Ce 2 O 3 nanocrystals show a preference for transformation into an A-type trigonal structure. Notably, at temperatures up to 200°C, only the perfect fluorite structure is observed. Structural models were validated through both [110] and [001] projections. Our findings further confirm lattice expansion associated with local oxygen vacancy enrichment, which can be compensated by the formation of stacking faults, where a {111} oxygen plane is lost at defect sites.

Cerium oxide↗