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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Partnership Center for High-Fidelity Boundary Plasma Simulation (Final Report)

Within the Partnership Center for High-Fidelity Boundary Plasma Simulation (HBPS), work at UT-Austin was aimed at improved verification, validation, and uncertainty quantification (VVUQ) for edge plasma simulations and on performing gyrokinetics simulations of pedestal instabilities and turbulence in order to expand foundational understanding of pedestal transport. Regarding VVUQ, the accomplishments can be summarized as follows. First, it was shown that the Moment Preserving Constrained Resampling technique, when applied periodically in particle-in-cell simulations in the XGC code, can dramatically improve the accuracy of the simulation at essentially equivalent computational cost. Second, a technique for estimating model correlations, which are required to solve the model selection and sample allocation problem in multifidelity UQ techniques, without sampling the highest fidelity, most computationally expensive model, was developed and demonstrated. Third, previously developed methods for estimating statistical and discretization errors were applied to numerical methods relevant to edge plasma simulations, namely in particle-in-cell-based approaches, and shown to work. Finally, benchmark studies for comparing gyrokinetic codes were developed and performed, leading to reasonable agreement between four commonly used codes. Regarding physics studies, gyrokinetic simulations to investigate microtearing modes in the DIII-D pedestal were performed using the GENE code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Softwarized Federations of Science Instruments with Edge-Continuum Containers

Significant expansion of capabilities of DOE science complex of supercomputers, instruments and networks is expected as powerful experimental facilities, exascale computers and terabit networks are added. Combined with the advances in edge and cloud computing technologies, DOE science users now have the promise of unprecedented execution of complex, continuum workflows, namely, small and latency-sensitive computations at the edge and site, massive computations at remote HPC systems, and everything in between on the cloud. But, bringing this capability to the science user requires overcoming the overwhelming complexity of forming the federations of systems, and efficiently and effectively orchestrating the workflows while ensuring high utilization of the expensive facilities. Current manual configuration of the federated systems simply will not scale, since the coordination across sites may take weeks to months, often leading to under-utilized and hard-to-diagnose compositions. A powerful, composable software stack will be developed to (i) wrap the systems so that federations can be composed fast in software, and (ii) containerize computations to be orchestrated across the edge, site, cloud and HPC resources.

Rao, Nageswara S.↗
DOE OSTI2024

Electron Radiation-Induced Nickel Nanoparticle Formation in KCl-ZnCl 2 Eutectic Molten Salt Using X-ray Absorption Spectroscopy

Understanding the speciation and local structure of metal solutes in molten salts is essential for predicting thermal properties and the redox and corrosion potentials of molten salts for next-generation nuclear reactors and concentrated solar power plant applications. Here, we employ X-ray absorption spectroscopy combined with electron paramagnetic resonance (EPR) measurements to investigate the effects of electron irradiation on 0.1 wt % NiCl 2 dissolved in molten eutectic KCl-ZnCl 2 salt. Radiation-driven reduction of Ni 2+ leading to nucleation and growth of Ni nanoparticles is studied as a function of electron dose (3–15 MGy) and temperature. Quantitative X-ray absorption near edge structure and linear combination fitting are utilized to investigate the extent of reduction as a function of the electron dose and temperature. A multiple-scattering (MS) approach is used for extended X-ray absorption fine structure analysis to deduce the size of the Ni nanoparticles formed and to understand the effect of the dose on the local structure of the nanoparticles. EPR studies on solidified NiCl 2 dissolved in molten eutectic KCl-ZnCl 2 salt show the formation of magnetic Ni nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Selective reduction in epitaxial SrFe 0.5 Co 0.5 O 2.5 and its reversibility

Oxygen-vacancy engineering in transition metal oxides enables programmable functionalities by modulating the valence states and local coordination of constituents. Here, we report the selective reduction of cobalt ions in epitaxial SrFe 0.5 Co 0.5 O 2.5 thin films under reducing gas environments, while iron ions remain unchanged. X-ray absorption spectroscopy reveals an absorption edge shift of 1.65 eV in the Co L-edge upon reduction, and multiplet simulations estimate a decrease in the average Co valence from Co 2.91+ to Co 2.00+ . This site- and element-specific reduction leads to the formation of a structurally distinct oxygen-deficient phase stabilized by oxygen vacancies at tetrahedral sites, as confirmed by density functional theory. Optical spectroscopy reveals an increase in the bandgap from 2.47 eV to 3.04 eV, accompanied by enhanced transparency. Furthermore, simultaneous in situ diffraction and transport measurements confirm fully reversible redox-driven transitions among three phases: reduced defective perovskite, brownmillerite, and oxygen-rich perovskite phases. These findings demonstrate that selective redox control in multi-cation oxides enables the realization of chemically and functionally distinct oxygen-deficient phases.

Fuel cells↗
DOE OSTI2024

Effects of zero and reversed magnetic shear on resistive wall modes in a straight limiter tokamak with zero beta

Advanced tokamak scenarios often feature equilibriums with zero and reversed magnetic shear. To isolate and investigate their impacts on the resistive wall mode (RWM) instability analytically, we construct a series of cylindrical limiter equilibriums with different magnetic shear in the core and toward plasma edge, as a prototype of the configurations in advanced tokamak scenarios. Equilibriums with zero β are considered so that the analysis focuses on the current-driven RWMs. Analytical solutions for the n=1 resistive wall mode, derived from the reduced ideal magnetohydrodynamics (MHD) equations, consistently demonstrate key insights for both the core and the edge: the growth rate of RWMs is inversely proportional to the averaged magnetic shear when the safety factor at the edge (qa) is held constant. Specifically, an increase in positive averaged magnetic shear results in a decreased growth rate, whereas an increase in negative averaged magnetic shear leads to an increased growth rate. Furthermore, the influence of nqa on the mode's stability significantly surpasses the effects of magnetic shear changes previously discussed. These analytical calculation results provide a verification of NIMROD simulations.

Wan, Sui (ORCID:0009000464121677)↗
DOE OSTI2022

Strain-modulated anisotropic electronic structure in superconducting RuO 2 films

The binary ruthenate, RuO 2 , has been the subject of intense interest due to its itinerant antiferromagnetism and strain-induced superconductivity. The strain mechanism and its effect on the microscopic electronic states leading to the normal and superconducting state, however, remain undisclosed. Here, we investigate highly strained epitaxial (110) RuO 2 films using polarization-dependent oxygen K-edge x-ray absorption spectroscopy (XAS). Through the detection of pre-edge peaks arising from O:2p - Ru:4d hybridization, we uncover the effects of epitaxial strain on the orbital/electronic structure near the Fermi level. Our data show robust strain-induced shifts of orbital levels and a reduction of hybridization strength. Furthermore, we reveal a pronounced in-plane anisotropy of the electronic structure along the [110] / [1$\bar{1}$0] directions naturally stemming from the symmetry-breaking epitaxial strain of the substrate. The B 2g symmetry component of the epitaxially enforced strain breaks a sublattice degeneracy, resulting in an increase of the density of states at the Fermi level (E F ), possibly paving the way to superconductivity. Finally, these results underscore the importance of the effective reduction from tetragonal to orthorhombic lattice symmetry in (110) RuO 2 films and its relevance towards the superconducting and magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Carbon Fiber Prepreg Recycling- Automated Perform Manufacturing Equipment (Final Technical Report)

Discontinuous fiber composites have a compelling business case as related to light metals such as aluminum and magnesium machined or die cast components. DFC’s have been in commercial production using carbon fiber/epoxy prepreg for both commercial aircraft and for military applications for a number of years and their usage is expanding into automotive and consumer goods components. Reasons for this include significantly lower cost as compared to continuous fiber composites easier design and understanding of the material by metal traditionalists, higher degree of part complexity with relatively simple and low cost molds when compared to high-pressure die casting, and potential for near zero waste. IACMI’s 10-year goals of reduction in carbon fiber reinforced plastics manufacturing cost by 25%, reduction in their embodied energy by 50%, and recyclability of 95% can all be advanced through robust recycling. With recycling We have shown that a 15% contribution in manufacturing cost reduction is feasible, that a significant reduction in embodied energy (over 90% for the recycled fraction) is achievable, and that when combined with primary pyrolysis recycling, the 95% target can be met. Large-scale application of advanced composites began with the aerospace industry, and CRTC’s location in Washington State provided access to a waste stream of nearly 900 tonnes/year that was going to landfill. As the aerospace industry has automated parts production, their material forms have become significantly easier to recycle, and some evidence of this exists for the future automotive and wind turbine components as well. CRTC decided to focus on re-purposing the carbon fiber/epoxy aerospace scrap streams through materials reformatting and reuse, and not on primary recycling (pyrolysis mainly) as this technology is commercially available. The main reasons for this were that it offers a route to effective use of the most widely available and consistent feedstock called edge-trim, as well as allows creation of complex and low-cost parts using rapid and cost-effective compression molding technologies. The reasons also include leading the way for potential automotive pre-preg recycling as the combination of roughly 85% virgin pre-preg and 15% recycled pre-preg directly supports IACMI’s goals and enables significant part cost reduction and a path to zero-waste composite manufacturing at the OEMs or Tier 1’s. The purpose of the project was to develop equipment and technology to transform continuous fiber pre-preg in roll forms into smaller chip-format DFC feedstock, and to determine impacts on moldability and performance based on lessons learned along the path. The availability of scrap from pre-preg manufacturers was a significant value to the program even though the aerospace pre-preg is designed to be autoclave molded thus has handling, tackiness, and processing factors that are not ideal for DFCs. The scope of the project was to develop a Phase 1 system that could identify and resolve some of the major hurdles, determine where to focus effort on building a commercial-scale Phase 2 system, and develop technology for handling a wide variety of incoming scrap materials to produce the most usable product. A chopping system was developed and reduced to practice via an experimental approach that enabled all forms of scrap coming from the pre-preg manufacturers and some forms of the scrap coming from OEM production lines to be very effectively re-purposed. The systems that were developed were not considered to be production robust but rather identified and resolved some of the major technical hurdles, and demonstrated the path towards effective full-scale commercialization.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Correlating Surface Processing of Nb Superconducting RF Cavities with the Evolution of Surface Electronic States

Superconducting-radio frequency (RF) cavities provide an efficient way to accelerate particle beams with extremely high acceleration gradients while generating very small power dissipation. The few nanometers of the surface play a critical role in defining the RF performance of superconducting Nb based cavities. Over the past two decades, several pioneering surface treatment and processing methods have emerged, enabling remarkable improvements in superconducting cavity performance by simultaneously achieving high quality factors with increasing maximum acceleration gradients. These processing approaches include chemical polishing, distinct multi-step thermal treatments under ultra-high vacuum (UHV) conditions over low to high temperature regimes, as well as high-temperature treatments under controlled nitrogen atmospheres. Beyond their macroscopic impact on RF performance, these methods produce distinct surface oxide configurations characterized by different valence states, oxide thicknesses, chemical uniformity, and oxygen concentration profiles extending into the near-surface bulk of niobium. In this work, we are trying to understand how the surface-processing methods and the resulting oxide/oxygen profiles affect the electronic structure of surface and the mechanism of superconductivity. Using a combination of X-ray photoemission and X-ray absorption spectroscopies, we investigate how the valence-band structure and the electronic density of states (DoS) near the Fermi level evolve under different surface treatments. By employing tunable photon energies across multiple elemental absorption edges, we use resonant photoemission to disentangle and identify the elemental contributions to specific valence-band features. Our observations show that different surface-processing methods lead to distinct temperature evolutions of the DoS and valence-band states near the Fermi level. Our results suggest variations in different Nb-O orbital hybridizations in distinct processes and point towards the possibility of different underlying mechanisms of superconductivity governed by surface chemistry and oxide configuration. We also correlate these distinct superconducting mechanisms with RF cavity performance, specifically focusing on measured surface resistance, the nature of the Q-slope, and quench fields observed in superconducting RF measurements. These results will enable us to identify the potential limiting factors and relevant controllable parameters that can be further optimized to improve the performance of superconducting RF cavities.

Tripathi, Malvika [Fermilab] (ORCID:00000001989251↗
DOE OSTI2026

Turbulence-Driven Edge-Localized-Mode-Free High-Confinement Mode with Divertor Detachment in a Metal-Wall Tokamak

We report the first demonstration of a minute-scale, edge-localized-mode-free high-confinement plasma regime compatible with divertor partial detachment and enhanced pedestal performance in a metal-wall tokamak, the Experimental Advanced Superconducting Tokamak. This regime is enabled by a newly identified mechanism: during divertor partial detachment, reduced ionization and enhanced pumping in a closed divertor lead to less cooling of the pedestal by recycling neutrals and seeding impurities, resulting in an increased pedestal temperature gradient, which excites high-frequency broadband turbulence. Gyrokinetic simulations identify the high-frequency broadband turbulence as a temperature-gradient-driven trapped electron mode (𝜂 𝑒 -TEM), which drives outward transport of particles and heat, thereby maintaining the edge-localized-mode-free state. This pedestal regime is particularly promising for the International Thermonuclear Experimental Reactor, where the anticipated lower density gradient, reduced E×B shear, and lower collisionality in the pedestal will further facilitate 𝜂 𝑒 -TEM excitation. The achieved integrated scenario with a detached divertor and turbulence-dominated pedestal thus offers a compelling solution for managing heat loads and metal impurity sources for long-pulse high-performance operation in future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Design principles for lifelong learning AI accelerators

Lifelong learning-an agent's ability to learn throughout its lifetime-is a hallmark of biological learning systems and a central challenge for artificial intelligence (AI). The development of lifelong learning algorithms could lead to a range of novel AI applications, but this will also require the development of appropriate hardware accelerators, particularly if the models are to be deployed on edge platforms, which have strict size, weight and power constraints. Here we explore the design of lifelong learning AI accelerators that are intended for deployment in untethered environments. We identify key desirable capabilities for lifelong learning accelerators and highlight metrics to evaluate such accelerators. We then discuss current edge AI accelerators and explore the future design of lifelong learning accelerators, considering the role that different emerging technologies could play. The Perspective explores the future design of lifelong learning artificial intelligence (AI) accelerators that are intended for deployment in untethered environments, identifying key desirable capabilities for such edge AI accelerators and guidance on metrics to evaluate them.

42 ENGINEERING↗
DOE OSTI2022

Achievements of actively controlled divertor detachment compatible with sustained high confinement core in DIII-D and EAST

The compatibility of efficient divertor detachment with high-performance core plasma is vital to the development of magnetically controlled fusion energy. The joint research on the EAST and DIII-D tokamaks demonstrates successful integration of divertor detachment with excellent core plasma confinement quality, a milestone towards solving the critical plasma–wall-interaction (PWI) issue and core-edge integration for ITER and future reactors. In EAST, actively controlled partial detachment with T et,div ~ 5 eV around the strike point and H 98 > 1 in different H-mode scenarios including the high β P H-mode scenario have been achieved with ITER-like tungsten divertor, by optimizing the detachment access condition and performing detailed experiments for core-edge integration. For active long-pulse detachment feedback control, a 30 s H-mode operation with detachment-control duration being 25 s has been successfully achieved in EAST. DIII-D has achieved actively controlled fully detached divertor with low plasma electron temperature (T et,div ≤ 5 eV across the entire divertor target) and low particle flux (degree of detachment, DoD > 3), simultaneously with very high core performance (β N ~3, β P > 2 and H 98 ~ 1.5) in the high βP scenario being developed for ITER and future reactors. The high-β P high confinement scenario is characterized by an internal transport barrier (ITB) at large radius and a weak edge transport barrier (ETB, or pedestal), which are synergistically self-organized. Both the high-β P scenario and impurity seeding facilitate divertor detachment. The detachment access leads to the reduction of ETB, which facilitates the development of an even stronger ITB at large radius in the high β P scenario. Thus, this strong large radius ITB enables the core confinement improvement during detachment. In conclusion, these significant joint DIII-D and EAST advances on the compatibility of high confinement core and detached divertor show a great potential for achieving a high-performance core plasma suitable for long-pulse operation of fusion reactors with controllable steady-state PWIs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Density and temperature profiles after low-Z and high-Z shattered pellet injections on DIII-D

Abstract In this work we utilize the recently upgraded Thomson scattering diagnostic to resolve density and temperature plasma profiles after pure deuterium and mixed neon/deuterium shattered pellet injections (SPIs) on DIII-D. This allows us to study individual components of the staggered scheme proposed for disruption mitigation on ITER, consisting of a low-Z material SPI followed by a delayed high-Z SPI. Obtained spatio-temporal density profiles exhibit very different dynamics after dominantly neon and pure deuterium SPIs. The neon SPI causes a fast radiative plasma collapse in a few milliseconds and results in almost flat density profile once the impurity mixes with the plasma during and after the thermal quench (TQ). The deuterium SPI leads to a disruption delayed by ten and more milliseconds, but very limited core fueling can be observed before the disruption. Even during and after the TQ, the edge deuterium density significantly exceeds the core density. 1D transport modeling suggests that this poor core fueling can be explained by strong outward grad-B-induced drift of the injected deuterium. Preliminary simulations show that larger pellet shards and greater injected quantity can be used to improve the penetration of the low-Z material into the core. These results call for optimization and further evaluation of the staggered SPI on ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Solid Phase Processing of Lead-Free Brass with Carbon Additives

Currently, “lead-free” brass alloys (like C27450/C27451/C6930), used extensively in drinking water fixtures and automotive, electrical, and electronic applications contain maximum 0.25% lead to maintain mechanical performance and machinability. Adding graphite to brass as an alternative to lead, using casting, powder metallurgy, and extrusion methods, has been explored previously. However, all these methods have proven to be energy-, time-, and resource-intensive, while not enabling performance equivalent to that of C36000 brass. In this project, we developed a one-step approach using friction extrusion and ShAPE to make lead-free brass/graphite components such as wires, rods and tubes with mechanical performance equivalent to commercial lead-free brass alloys. Manufacturing temperatures were maintained ~550-730 °C with feed rates ranging between 4 – 25 mm/min. Results show larger grains at the center of the rods and wires with smaller grains developing at the edges. Graphite particles were sheared in the direction of extrusion with higher strains observed towards the edges. Hardness of the brass/graphite samples was over 25% higher than that of the corresponding brass-only samples (rods and wires), also friction extruded. Our results show that the sub-micron graphite plays an important role in limiting process temperature and restraining grain growth during friction extrusion, thus reducing grain size in composites.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Universal Size-Dependent Stokes Shifts in Lead Halide Perovskite Nanocrystals

Size-dependent photoluminescence Stokes shifts (Δ E s ) universally exist in CsPbX 3 (X = Cl – , Br – , or I – ) perovskite nanocrystals (NCs). Δ E s values, which range from ~15 to 100 meV for NCs with average edge lengths ( l ) from approximately 13 to 3 nm, are halide-dependent such that Δ E s (CsPbI 3 ) > Δ E s (CsPbBr 3 ) ≳ Δ E s (CsPbCl 3 ). Observed size-dependent Stokes shifts are not artifacts of ensemble size distributions as demonstrated through measurements of single CsPbBr 3 NC Stokes shifts ((Δ E s ) = 42 ± 5 meV), which are in near quantitative agreement with associated ensemble ( l = 6.8 ± 0.8 nm) Δ E s values (Δ E s ≈ 50 meV). Transient differential absorption measurements additionally illustrate no significant spectral dynamics on the picosecond time scale that would contribute to Δ E s . This excludes polaron formation as being responsible for Δ E s . Overall, the results point to an origin for Δ E s , intrinsic to the size-dependent electronic properties of individual perovskite NCs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Resolving Enhanced Mn 2+ Luminescence near the Surface of CsPbCl 3 with Time-Resolved Cathodoluminescence Imaging

Mn 2+ doping of lead halide perovskites has garnered recent interest because it produces stable orange luminescence in tandem with perovskite emission. In this work, we observe enhanced Mn 2+ luminescence at the edges of Mn 2+ -doped CsPbCl 3 perovskite microplates and suggest an explanation for its origin using the high spatiotemporal resolution of time-resolved cathodoluminescence (TRCL) imaging. We reveal two luminescent decay components that we attribute to two different Mn 2+ populations. While each component appears to be present both near the surface and in the bulk, the origin of the intensity variation stems from a higher proportion of the longer lifetime component near the perovskite surface. Overall, we suggest that this higher emission is caused by an increased probability of electron-hole recombination on Mn 2+ near the perovskite surface due to an increased trap concentration there. This observation suggests that such surface features have yet untapped potential to enhance emissive properties via control of surface-to-volume ratio.

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

Deciphering decomposition pathways of high explosives with cryogenic X-ray Raman spectroscopy

We employed cryogenic X-ray Raman spectroscopy to investigate the early-stage decomposition of the high explosive molecule hexanitrohexaazaisowurtzitane (CL-20). By systematically varying the radiation dose under cryogenic conditions, we induced the decomposition of the molecule using ionizing radiation and observed the evolution of spectral features at the carbon, nitrogen, and oxygen K edges. Through extensive first-principles calculations, we identified key intermediates in the early stages of the decomposition process, resulting from C–C and C–N bond cleavage which leads to the opening of the internal cage structure. A detailed analysis of spectral trends and fingerprints provided evidence supporting N–NO 2 homolytic cleavage as the primary initial decomposition pathway. The combination of advanced core-level spectroscopy methods and state-of-the-art theoretical calculations enabled a comprehensive characterization of the molecular changes induced by controlled radiation dose exposures. In conclusion, our findings establish a benchmark for understanding the decomposition chemistry of high-explosive materials, offering important insights into their stability and reactivity under extreme conditions.

X-ray Raman spectroscopy↗
DOE OSTI2026

Simultaneous ELM suppression and divertor detachment via synergistic boron powder and neon injection in EAST

A novel approach for simultaneous power exhaust and edge-localized mode (ELM) control is presented in the Experimental Advanced Superconducting Tokamak discharges, which utilize an ITER-like tungsten divertor. Real-time injection of boron (B) powder and neon (Ne) gas overcomes their limitations encountered when used separately. Pure Ne seeding leads to a narrow operational window constrained by core impurity accumulation and H-mode to L-mode back transitions, while pure solid B injection (SBI) is insufficient for effective divertor cooling. In comparison, their combined use achieves a stable, stationary, ELM-suppressed H-mode with adequate power exhaust. This synergistic scenario features partial energy detachment at the outer divertor while maintaining good plasma confinement (H 98 ∼ 1) with minimal degradation. Two key features of this scenario are: (1) the SBI triggers a persistent Edge Harmonic Mode (EHM), which provides a crucial continuous particle transport channel, preventing Ne and tungsten/molybdenum accumulation without flushing out by ELM, and (2) the B + Ne mixture allows for active optimization of the radiated power profile. Core radiation can be reduced by substituting a portion of the Ne with B, leveraging their complementary non-coronal equilibrium radiation efficiencies. This combined B + Ne injection scheme presents a promising pathway toward integrated core-edge scenarios, offering the potential to minimize total impurity throughput while leveraging an actuator (powder injection) already being considered for ITER.

Boron↗
DOE OSTI2024

Direct Fabrication of Atomically Defined Pores in MXenes Using Feedback-Driven STEM

Controlled fabrication of nanopores in 2D materials offer the means to create robust membranes needed for ion transport and nanofiltration. Techniques for creating nanopores have relied upon either plasma etching or direct irradiation; however, aberration-corrected scanning transmission electron microscopy (STEM) offers the advantage of combining a sub-Å sized electron beam for atomic manipulation along with atomic resolution imaging. Here, for this work, a method for automated nanopore fabrication is utilized with real-time atomic visualization to enhance the mechanistic understanding of beam-induced transformations. Additionally, an electron beam simulation technique, Electron-Beam Simulator (E-BeamSim) is developed to observe the atomic movements and interactions resulting from electron beam irradiation. Using the MXene Ti 3 C 2 T x , the influence of temperature on nanopore fabrication is explored by tracking atomic transformations and find that at room temperature the electron beam irradiation induces random displacement and results in titanium pileups at the nanopore edge, which is confirmed by E-BeamSim. At elevated temperatures, after removal of the surface functional groups and with the increased mobility of atoms results in atomic transformations that lead to the selective removal of atoms layer by layer. This work can lead to the development of defect engineering techniques within functionalized MXene layers and other 2D materials.

36 MATERIALS SCIENCE↗