Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Dynamic TEM”

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 361 records · Page 20

Assessing dynamic vegetation model parameter uncertainty across Alaskan arctic tundra plant communities

Abstract As the Arctic region moves into uncharted territory under a warming climate, it is important to refine the terrestrial biosphere models (TBMs) that help us understand and predict change. One fundamental uncertainty in TBMs relates to model parameters, configuration variables internal to the model whose value can be estimated from data. We incorporate a version of the Terrestrial Ecosystem Model (TEM) developed for arctic ecosystems into the Predictive Ecosystem Analyzer (PEcAn) framework. PEcAn treats model parameters as probability distributions, estimates parameters based on a synthesis of available field data, and then quantifies both model sensitivity and uncertainty to a given parameter or suite of parameters. We examined how variation in 21 parameters in the equation for gross primary production influenced model sensitivity and uncertainty in terms of two carbon fluxes (net primary productivity and heterotrophic respiration) and two carbon (C) pools (vegetation C and soil C). We set up different parameterizations of TEM across a range of tundra types (tussock tundra, heath tundra, wet sedge tundra, and shrub tundra) in northern Alaska, along a latitudinal transect extending from the coastal plain near Utqiaġvik to the southern foothills of the Brooks Range, to the Seward Peninsula. TEM was most sensitive to parameters related to the temperature regulation of photosynthesis. Model uncertainty was mostly due to parameters related to leaf area, temperature regulation of photosynthesis, and the stomatal responses to ambient light conditions. Our analysis also showed that sensitivity and uncertainty to a given parameter varied spatially. At some sites, model sensitivity and uncertainty tended to be connected to a wider range of parameters, underlining the importance of assessing tundra community processes across environmental gradients or geographic locations. Generally, across sites, the flux of net primary productivity (NPP) and pool of vegetation C had about equal uncertainty, while heterotrophic respiration had higher uncertainty than the pool of soil C. Our study illustrates the complexity inherent in evaluating parameter uncertainty across highly heterogeneous arctic tundra plant communities. It also provides a framework for iteratively testing how newly collected field data related to key parameters may result in more effective forecasting of Arctic change.

54 ENVIRONMENTAL SCIENCES↗

Revealing High-Temperature Reduction Dynamics of High-Entropy Alloy Nanoparticles via In Situ Transmission Electron Microscopy

Understanding the behavior of high-entropy alloy (HEA) materials under hydrogen (H 2 ) environment is of utmost importance for their promising applications in structural materials, catalysis, and energy-related reactions. Herein, the reduction behavior of oxidized FeCoNiCuPt HEA nanoparticles (NPs) in atmospheric pressure H-2 environment was investigated by in situ gas-cell transmission electron microscopy (TEM). The reduction reaction front was maintained at the external surface of the oxide. During reduction, the oxide layer expanded and transformed into porous structures where oxidized Cu was fully reduced to Cu NPs while Fe, Co, and Ni remained in the oxidized form. In situ chemical analysis showed that the expansion of the oxide layer resulted from the outward diffusion flux of all transition metals (Fe, Co, Ni, Cu). Revealing the H-2 reduction behavior of HEA NPs facilitates the development of advanced multicomponent alloys for applications targeting H 2 formation and storage, catalytic hydrogenation, and corrosion removal.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A reactive wetting strategy improves lithium metal reversibility

The cycling of lithium metal (Li 0 ) anode is often accompanied by irregular lithium plating/stripping, leading to poor Li 0 reversibility, and posing a grand challenge to constructing reliable Li 0 batteries. Hereby, we report a reactive wetting strategy to enable conformal and highly reversible Li 0 plating/stripping through a lithium-reactive substrate. In this study, the reactive wetting, smooth nucleation, and conformal growth behaviors of Li 0 are visualized through in-situ transmission electron microscopy, ex-situ scanning electron microscope, and in-situ optical microscope characterizations. Based on the reactive wetting substrate, high average Coulombic efficiencies (99.0% at 0.5 mA cm -2 for 400 cycles) are realized for Li 0 anodes. By pre-plating Li 0 into the reactive wetting substrate as anodes and leveraging LiFePO 4 as cathodes, high capacity retention (76.0% after 200 cycles in low N/P ratio conditions) is also achieved in the as-constructed Li 0 full cells. This work establishes a fundamental understanding of reactive wetting dynamics of Li 0 and provides a drop-in solution to improving Li 0 reversibility.

25 ENERGY STORAGE↗

In Situ EXAFS Study of Mo–P Bond Dynamics in Molybdenum Phosphide during CO 2 Reduction and Hydrogen Evolution

Transition Metal Phosphides (TMPs) are widely studied as catalysts in reactions like hydrogen evolution, oxygen reduction, and hydrodesulfurization. TMPs have demonstrated remarkable efficiency in accelerating reactions by providing active sites for adsorption and facilitating the transformation of reaction intermediates, a feature that has increased the interest of TMPs in the electrochemical carbon dioxide reduction reaction (eCO 2 RR). Despite their growing use, the potential-dependent structural behavior of TMPs under operating electrochemical conditions remains insufficiently understood. This work investigates the dynamics of the Mo−P bond during eCO 2 RR and hydrogen evolution reaction (HER) using in situ extended X-ray absorption spectroscopy (EXAFS) studies at the Mo−K edge. Structural characterization of the synthesized MoP nanoparticles was performed by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). Results of the overall electrochemical activity of MoP are presented through linear sweep voltammetry (LSV) experiments in the potential range of 0 to −1.5 V versus Ag/AgCl and chronoamperometry (CA). Liquid products were analyzed by 1 H NMR spectroscopy. The synthesized catalyst showed increasing activity with the highest Faradaic efficiency of 11.75% for C 2+ products at −1.3 V vs Ag/AgCl. In situ EXAFS revealed a change in the average Mo−P bond distance during eCO 2 RR, whereas no such change was observed during the hydrogen evolution reaction (HER). This finding suggests that phosphorus, particularly through modulation of the Mo−P bond length, plays an important role in the eCO 2 RR and demonstrates how in situ EXAFS can track local structural perturbations in MoP catalysts during electrochemical operation, providing complementary structural insight that correlates with electrochemical behavior.

Catalysts↗

Probing ferroelectric domain structures and their switching dynamics in SrBi2Ta2O9 by in-situ electric biasing in transmission electron microscopy

Abstract Lead-free SrBi 2 Ta 2 O 9 (SBT) has been a promising ferroelectric material for various applications such as electronics and data storage due to its outstanding ferroelectric properties including high fatigue endurance and low leakage current. However, the atomic-scale domain structure and switching dynamics of ferroelectric SBT remain elusive. This study reveals that spontaneous polarization arises from canted bismuth-cation displacements, forming 90° and Ising-type 180° domain walls. Interestingly, topological pairs of ferroelectric vortex and antivortex connect ferroelectric boundaries where three domain walls converge. In situ electrical biasing transmission electron microscopy (TEM) reveals the dominance of 180° switching over 90°, where oxygen octahedral connectivity is protected by ferroelastic energy in the 90° domain wall. Consequently, all 180° domain walls and (anti)vortices are removed, leaving only 90° domain walls in the electrically poled states. Chemical deterioration along domain walls highlights vulnerability of SBT to ferroelectric fatigue. This study provides insight into crucial aspects for practical applications of SBT.

36 MATERIALS SCIENCE↗

Achieving Grain Refinement and Related Mechanical Property Improvement of an Al-Zn-Mg-Cu Alloy Through Severe Plastic Deformation

Microstructural features and mechanical properties of an Al-Zn-Mg-Cu alloy processed by equal-channel angular pressing (ECAP) have been investigated. The equivalent plastic strain obtained from the simulation agrees well with that from the analytical calculation in a way that both increase with an increase in deformation, but the strain distribution is non-uniform, appearing as a strain gradient along the norm direction. Microstructure investigation shows that grain refinement is achieved in frequency of low-angle grain boundaries fabricated by ECAP. The pole density is reduced by ECAP, during which the Brass and Goss type textures are introduced. TEM results show chain-like recrystallized grains formed at the grain boundaries and broken second-phase particles come into being due to the heavy shear force. After ECAP, the hardness and strength increase significantly while the elongation is reduced. Besides, an extreme strengthening is confirmed because of the balance between dynamic hardening and softening. The microstructure evolution mechanism is revealed in terms of grain refinement, precipitate phase breakage and texture evolution.

36 MATERIALS SCIENCE↗

Quantifying global N 2 O emissions from natural ecosystem soils using trait-based biogeochemistry models

A group of soil microbes plays an important role in nitrogen cycling and N 2 O emissions from natural ecosystem soils. Wedeveloped a trait-based biogeochemical model based on an extant process-based biogeochemistry model, the Terrestrial Ecosystem Model (TEM), by incorporating the detailed microbial physiological processes of nitrification. The effect of ammonia-oxidizing Archaea (AOA),ammonia-oxidizing bacteria (AOB), and nitrite-oxidizing bacteria (NOB) was considered in modeling nitrification. Microbial traits, including microbial biomass and density, were explicitly considered. In addition,nitrogen cycling was coupled with carbon dynamics based on stoichiometry theory between carbon and nitrogen. The model was parameterized using observational data and then applied to quantifying global N 2 O emissions from global terrestrial ecosystem soils from 1990 to 2000. Our estimates of 8.7±1.6 Tg N yr –1 generally agreed with previous estimates during the study period. Tropical forests are a major emitter,accounting for 42 % of the global emissions. The model was more sensitive to temperature and precipitation and less sensitive to soil organic carbon and nitrogen contents. Compared to the model without considering the detailed microbial activities, the new model shows more variations in response to seasonal changes in climate. Our study suggests that further information on microbial diversity and ecophysiology features is needed. The more specific guilds and their traits shall be considered in future soil N 2 O emission quantifications.

54 ENVIRONMENTAL SCIENCES↗

In situ high-energy X-ray diffraction study of tensile deformation of neutron-irradiated polycrystalline Fe-9%Cr alloy

The effect of neutron irradiation on tensile deformation of a Fe-9wt.%Cr alloy was investigated using in situ high-energy synchrotron X-ray diffraction during room-temperature uniaxial tensile tests. New insights into the deformation mechanisms were obtained through the measurements of lattice strain evolution and the analysis of diffraction peak broadening using the modified Williamson-Hall method. Two neutron-irradiated specimens, one irradiated at 300 °C to 0.01 dpa and the other at 450 °C to 0.01dpa, were tested along with an unirradiated specimen. The macroscopic stress–strain curves of the irradiated specimens showed increased strength, reduced ductility and work-hardening exponent compared to the unirradiated specimen. The evolutions of the lattice strain, the dislocation density and the coherent scattering domain size in the deformation process revealed different roles of the submicroscopic defects in the 300°C/0.01 dpa specimen and the TEM-visible nanometer-sized dislocation loops in the 450°C/0.01 dpa specimen: submicroscopic defects extended the linear work hardening stage (stage II) to a higher strain, while irradiation-induced dislocation loops were more effective in dislocation pinning. Lastly, while the work hardening rate of stage II was unaffected by irradiation, significant dynamic recovery in stage III in the irradiated specimens led to the early onset of necking without stage IV as observed in the unirradiated specimen.

36 MATERIALS SCIENCE↗

In-Situ X-Ray Imaging High Strain Rate Compression of Laminate Al-Graphene Composite and Mechanical Property Characterization

Owing to the opaque nature of the laminated structures, traditional high-speed optical camera cannot be used to detect the dynamic process of sub-surface deformation. In this article, we report a study of using high speed X-ray imaging to study the high strain rate deformation in laminated Al structures. We used a Kolsky bar apparatus to apply dynamic compression and a high-speed synchrotron X-ray phase contrast imaging (PCI) setup to conduct the in situ X-ray imaging study. The in situ X-ray imaging captures the shock wave propagation in the laminated structures. After shock compression, we characterized the microstructures by using transmission electron microscopy (TEM), which demonstrates an increase of dislocation density. In conclusion, the micro-pillar compression tests show that the yield strength at 0.2% offset of laminated Al-graphene composite has a significant increase of 67%, from 30 to 50 MPa, compared to laminate Al after shock loading.

36 MATERIALS SCIENCE↗

Integrating Experiments and Simulations to Reveal Anisotropic Growth Mechanisms and Interfaces of a One-Dimensional Zeolite

Zeolites are nanoporous crystalline materials critical for diverse industrial applications, yet their growth mechanisms are poorly understood. Here, this study presents a novel integrated framework combining experimental synthesis, high-resolution imaging, coarse-grained molecular dynamics simulations, and computer vision to uncover the mechanisms of growth of SSZ-24, a 1D channel zeolite. We demonstrate how synthesis conditions, such as temperature and reactant concentration, govern crystal anisotropy and surface roughness with growth dynamics differing markedly by crystallographic orientation. Along the channels, growth involves minimal energy barriers and rapid nucleation, resulting in rough surfaces. In contrast, growth perpendicular to the channels requires cooperative molecular organization and is highly sensitive to thermodynamic and kinetic conditions, yielding smooth anisotropic surfaces under low driving forces. By simulating transmission electron microscopy (TEM) images, we bridge molecular-scale simulations with experimental observations, identifying distinct growth mechanisms along different crystal planes. This work offers molecular-level insights into zeolite crystallization, advancing the rational design of nanoporous materials. The integration of cross-disciplinary methodologies establishes a transformative framework for optimizing zeolite synthesis, with implications for broader classes of materials.

Bertolazzo, Andressa A. [Univ. of Utah, Salt Lake ↗

Exploring the mobility of Cu in bimetallic nanocrystals to promote atomic-scale transformations under a reactive gas environment

Bimetallic nanocrystals (NCs) often show improved catalytic activities compared to their monometallic counterparts, but to optimize the performance it is crucial to understand how they behave under actual reaction conditions, i.e. in gas environments. Here, in this study, we use powder X-ray diffraction (PXRD), total scattering (TS) with pair distribution function (PDF) analysis and in situ high-resolution transmission electron microscopy (HR-TEM) to provide new insights into the atomic-scale behaviour of NC catalysts under a reactive gas environment. By investigating Au, Cu, Pd, PdCu, AuPd and AuCu NCs, we observe that the properties of bimetallic NCs differ significantly from their monometallic counterparts. While metal oxide phases formed for monometallic Pd and Cu under O 2 -exposure, bimetallic PdCu and AuCu NCs showed loss of metallic Cu in the crystalline phases after exposure to O 2 . However, upon introducing the bimetallic NCs to a reducing atmosphere, the Cu was found to reappear and reincorporate into a crystalline phase, forming the initial bimetallic structures. By combining TS, PDF analysis and in situ HR-TEM, we saw that Cu segregates to the NC surfaces or forms small CuO domains under O 2 -exposure. Our results thus indicate that the Cu mobility promotes segregation and formation of CuO along with the formation of a monometallic phase, which ultimately changes the resulting active surface sites of the nanocatalyst. Understanding the dynamical structure–property relations of nanocatalysts is key to enable rational design of efficient and robust catalysts for controlled catalytic reactions.

36 MATERIALS SCIENCE↗

PhaseT3M: 3D imaging at 1.6 Å resolution via electron cryo-tomography with nonlinear phase retrieval

Electron cryo-tomography (cryo-ET) enables 3D imaging of complex, radiation-sensitive structures with molecular detail. However, image contrast from the interference of scattered electrons is nonlinear with atomic density and multiple scattering further complicates interpretation. These effects degrade resolution, particularly in conventional reconstruction algorithms, which assume linearity. Particle averaging can reduce such issues but is unsuitable for heterogeneous or dynamic samples ubiquitous in biology, chemistry, and materials sciences. Here, we develop a phase retrieval-based cryo-ET method, PhaseT3M. We experimentally demonstrate its application to an approximately 7 nm Co3O4 nanoparticle on an approximately 30 nm carbon substrate, achieving a maximum resolution of 1.6 Å, surpassing conventional limits using standard cryo-TEM equipment. PhaseT3M uses a multislice model for multiple scattering and Bayesian optimization for alignment and computational aberration correction, with a positivity constraint to recover ‘missing wedge’ information. Applied directly to biological particles, it enhances reconstruction quality and reduces artifacts, establishing a standard for routine 3D imaging with phase contrast.

Biophysics↗

Characterization and modeling of mechanical behavior of single crystal titanium deformed by split-Hopkinson pressure bar

Single crystal titanium samples were dynamically loaded using split-Hopkinson pressure bar (SHPB) and the resulting microstructures were examined. Characterization of the twins and dislocations present in the microstructure was conducted to understand the pathway for observed mechanical behavior. Electron backscatter diffraction (EBSD) was used to measure textures and quantify twinning. Microstructures were profusely twinned after loading, and twin variants and corresponding textures were different as a function of initial orientation. Focused ion beam (FIB) foils were created to analyze dislocation content using transmission electron microscopy (TEM). Large amounts of dislocations were present, indicating that plasticity was achieved through slip and twinning together. Viscoplastic self-consistent (VPSC) modeling was used to confirm the complex order of operations during deformation. The activation of different mechanisms was highly dependent upon crystal orientation. For [0001] and View the MathML source[101¯1]-oriented crystals, compressive twinning was observed, followed by secondary tensile twinning. Furthermore, dislocations though prevalent in the microstructure, contributed to final texture far less than twinning.

36 MATERIALS SCIENCE↗

Separation Nanotechnology of Diethylenetriaminepentaacetic Acid Bonded Magnetic Nanoparticles for Spent Nuclear Fuel

A nanomagnetic separation method based on Diethylenetriaminepentaacetic acid (DTPA) conjugated with magnetic nanoparticles (MNPs) is studied for application in spent nuclear fuel separation. The high affinity of DTPA towards actinides aids in separation from the highly acidic medium of nuclear waste. The solubility and magnetization of particles at low pH is protected by encapsulating them in silica layer. Surface functionalization of silica coated particles with polyamines enhances the loading capacity of the chelators on MNPs. The particles were characterized before and after surface modification using transmission electron microscopy (TEM), helium ion microscopy (HIM), Fourier transform-infrared (FT-IR) spectrometry, and X-ray diffractometry. The coated and uncoated samples were studied using vibrating sample magnetometer (VSM) to understand the change in magnetic properties due to the influence of the surface functionalization. The hydrodynamic size and surface charge of the particles are investigated using Dynamic Light Scattering (DLS). The uptake behavior of Am(III), Pu(IV), U(VI), and Np(V) from 0.1M NaNO3 solution was investigated. The sorption result shows the strong affinity of DTPA towards Am(III) and Pu(IV) by extracting 97% and 80% of actinides, respectively. The high removal efficiency and fast uptake of actinides make the chelator conjugated MNPs an effective method for spent nuclear fuel separation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Trajectory Specification for Automation of Terminal Air Traffic Control

"Trajectory specification" is the explicit bounding and control of aircraft tra- jectories such that the position at each point in time is constrained to a precisely defined volume of space. The bounding space is defined by cross-track, along-track, and vertical tolerances relative to a reference trajectory that specifies position as a function of time. The tolerances are dynamic and will be based on the aircraft nav- igation capabilities and the current traffic situation. A standard language will be developed to represent these specifications and to communicate them by datalink. Assuming conformance, trajectory specification can guarantee safe separation for an arbitrary period of time even in the event of an air traffic control (ATC) sys- tem or datalink failure, hence it can help to achieve the high level of safety and reliability needed for ATC automation. As a more proactive form of ATC, it can also maximize airspace capacity and reduce the reliance on tactical backup systems during normal operation. It applies to both enroute airspace and the terminal area around airports, but this paper focuses on arrival spacing in the terminal area and presents ATC algorithms and software for achieving a specified delay of runway arrival time.

air traffic control↗

Enhanced detection of volatile organic compounds (VOCs) by caffeine modified carbon nanotube junctions

Detection of vapor phase analytes and gas molecules is primarily essential for numerous applications including medical diagnostic, environmental monitoring, chemical threat detection, food quality control, and chemical warfare agents. Here, we developed Caffeine functionalized carbon nanotubes (CNTs) random network based vapor quantum resistive sensors (vQRSs) for volatile organic compounds (VOCs) detection. The localized transmission electron microscopy (TEM) image and energy dispersive X-ray spectroscopy (EDS) confirm migration of caffeine to CNT–CNT junction (CNTj). We have recorded more than one order of magnitude higher sensitivity and unique selectivity towards selective VOCs (e.g., acetone, toluene, ethanol, methanol, etc.) with short response time (few seconds) for caffeine modified CNT junction (Caf-CNTj) vQRSs. Molecular dynamics (MD) calculations suggest that the sensitivity of the sensor is diffusion limited, with an advective contribution for ethanol. Furthermore, the designed Caf-CNTj sensors can potentially be important candidate to be a part of electronic nose used for various application such as breath analysis and food quality monitoring.

36 MATERIALS SCIENCE↗

Report on the FY20 Characterization of Age Hardened Alloy 709 Materials

This report provides the results on microstructural characterization of the first commercial heat of Alloy 709 plate material undergone additional age hardening treatment. In FY19, through thermodynamic-kinetic modeling and microstructural characterization, it is determined that the 775°C/10 h age-hardening treatment can promote desired precipitation on dislocations and has the potential to further improve the mechanical performance of the material. In FY20, the treatment protocol was applied to the ESR-1150°C condition, and the microstructure was then compared with the ESR-1100°C condition. It was found that the 1150°C solution annealing (SA) dramatically reduced the dislocation density compared to the 1100°C SA, resulting a smaller number density of Nb-rich fine precipitates which grow on dislocations during the age hardening treatment. Other features are very similar between the two. The effect of age hardening on creep performance is discussed. In addition, TEM characterization of a creep-ruptured sample (600°C/330 MPa) was performed. Specimens from the grip region and the gauge region was studied. The grip region specimen was effectively aged at 600°C for extended period, while the gauge region specimen was mechanically deformed at 600°C. The microstructures are very different, implying the importance of a dynamical effect on precipitation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗