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NASA NTRS2014

Evaluation of RTM370 Polyimide Composites by Resin Film Infusion (RFI)

RTM370 imide oligomer based on 2,3,3',4'-biphenyl dianhydride (a-BPDA), 3,4'-oxydianiline (3,4'-ODA) and terminated with the 4-phenylethynylphthalic (PEPA) endcap has been shown to exhibit a low melt viscosity (10-30 poise) at 280 C with a pot-life of 1-2 h and a high cured glass-transition temperature (Tg) of 370 C. RTM370 resin has been successfully infused into fiberglass-stitched T650-35 carbon-fabric preforms (ranged from 3- to 6-mm thick) by resin film infusion (RFI). The resulting composite panels were inspected by ultrasonic C-scan and by photomicrographs before and after post-curing as a quality control. Mechanical tests such as unnotched compression (UNC), open-hole compression (OHC), and short-beam shear strength (SBS) at ambient and elevated temperatures were performed before and after isothermal aging at 288 C for 1000 h to assess high-temperature performance. Thermal cycling of RTM370 stitched composites was also conducted from -54 C to 288 C for up to 1600 cycles to evaluate the microcrack resistance of RTM370 polyimide composites fabricated by RFI.

Polyimide↗

NASA NTRS2015

Python-Based Scientific Analysis and Visualization of Precipitation Systems at NASA Marshall Space Flight Center

At NASA Marshall Space Flight Center (MSFC), Python is used several different ways to analyze and visualize precipitating weather systems. A number of different Python‐based software packages have been developed, which are available to the larger scientific community. The approach in all these packages is to utilize pre‐existing Python modules as well as to be object‐oriented and scalable. The first package that will be described and demonstrated is the Python Advanced Microwave Precipitation Radiometer (AMPR) Data Toolkit, or PyAMPR for short. PyAMPR reads geolocated brightness temperature data from any flight of the AMPR airborne instrument over its 25‐year history into a common data structure suitable for user‐defined analyses. It features rapid, simplified (i.e., one line of code) production of quick‐look imagery, including Google Earth overlays, swath plots of individual channels, and strip charts showing multiple channels at once. These plotting routines are also capable of significant customization for detailed, publication‐ready figures. Deconvolution of the polarization‐varying channels to static horizontally and vertically polarized scenes is also available. Examples will be given of PyAMPR's contribution toward real‐time AMPR data display during the Integrated Precipitation and Hydrology Experiment (IPHEx), which took place in the Carolinas during May‐June 2014. The second software package is the Marshall Multi‐Radar/Multi‐Sensor (MRMS) Mosaic Python Toolkit, or MMM‐Py for short. MMM‐Py was designed to read, analyze, and display three‐dimensional national mosaicked reflectivity data produced by the NOAA National Severe Storms Laboratory (NSSL). MMM‐Py can read MRMS mosaics from either their unique binary format or their converted NetCDF format. It can also read and properly interpret the current mosaic design (4 regional tiles) as well as mosaics produced prior to late July 2013 (8 tiles). MMM‐Py can easily stitch multiple tiles together to provide a larger regional or national picture of precipitating weather systems. Composites, horizontal and vertical crosssections, and combinations thereof are easily displayed using as little as one line of code. MMM‐Py can also write to the native MRMS binary format, and sub‐sectioning of tiles (or multiple stitched tiles) is anticipated to be in place by the time of this meeting. Thus, MMM‐Py also can be used to power the creation of custom mosaics for targeted regional studies. Overlays of other data (e.g., lightning observations) are easily accomplished. Demonstrations of MMM‐Py, including the creation of animations, will be shown. Finally, Marshall has done significant work to interface Python‐based analysis routines with the U.S. Department of Energy's Py‐ART software package for radar data ingest, processing, and analysis. One example of this is the Python Turbulence Detection Algorithm (PyTDA), an MSFC‐based implementation of the National Center for Atmospheric Research (NCAR) Turbulence Detection Algorithm (NTDA) for the purposes of convective‐scale analysis, situational awareness, and forensic meteorology. PyTDA exploits Py‐ART's radar data ingest routines and data model to rapidly produce aviation‐relevant turbulence estimates from Doppler radar data. Work toward processing speed optimization and better integration within the Py‐ART framework will be highlighted. Python‐based analysis within the Py‐ART framework is also being done for new research related to intercomparison of ground‐based radar data with satellite estimates of ocean winds, as well as research on the electrification of pyrocumulus clouds.

Lang, Timothy J.↗

NASA NTRS2015

Development of the PRSEUS Multi-Bay Pressure Box for a Hybrid Wing Body Vehicle

NASA has created the Environmentally Responsible Aviation Project to explore and document the feasibility, benefits, and technical risk of advanced vehicle configurations and enabling technologies that will reduce the impact of aviation on the environment. A critical aspect of this pursuit is the development of a lighter, more robust airframe that will enable the introduction of unconventional aircraft configurations that have higher lift-to-drag ratios, reduced drag, and lower community noise. Although such novel configurations like the Hybrid Wing Body (HWB) offer better aerodynamic performance as compared to traditional tube-and-wing aircraft, their blended wing shapes also pose significant new design challenges. Developing an improved structural concept that is capable of meeting the structural weight fraction allocated for these non-circular pressurized cabins is the primary obstacle in implementing large lifting-body designs. To address this challenge, researchers at NASA and The Boeing Company are working together to advance new structural concepts like the Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS), which is an integrally stiffened panel design that is stitched together and designed to maintain residual load-carrying capabilities under a variety of damage scenarios. The large-scale multi-bay fuselage test article described in this paper is the final specimen in a building-block test program that was conceived to demonstrate the feasibility of meeting the structural weight goals established for the HWB pressure cabin.

Jegley, Dawn C.↗

NASA NTRS2016

Manufacturing Challenges and Benefits when Scaling the HIAD Stacked-Torus Aeroshell to a 15m Class System

Over a decade of work has been conducted in the development of NASA's Hypersonic Inflatable Aerodynamic Decelerator (HIAD) deployable aeroshell technology. This effort has included multiple ground test campaigns and flight tests culminating in the HIAD project's second generation (Gen-2) aeroshell system. The HIAD project team has developed, fabricated, and tested stacked-torus inflatable structures (IS) with flexible thermal protection systems (F-TPS) ranging in diameters from 3-6m, with cone angles of 60 and 70 deg. To meet NASA and commercial near term objectives, the HIAD team must scale the current technology up to 12-15m in diameter. The HIAD project's experience in scaling the technology has reached a critical juncture. Growing from a 6m to a 15m class system will introduce many new structural and logistical challenges to an already complicated manufacturing process. Although the general architecture and key aspects of the HIAD design scale well to larger vehicles, details of the technology will need to be reevaluated and possibly redesigned for use in a 15m-class HIAD system. These include: layout and size of the structural webbing that transfers load throughout the IS, inflatable gas barrier design, torus diameter and braid construction, internal pressure and inflation line routing, adhesives used for coating and bonding, and F-TPS gore design and seam fabrication. The logistics of fabricating and testing the IS and the F-TPS also become more challenging with increased scale. Compared to the 6m aeroshell (the largest HIAD built to date), a 12m aeroshell has four times the cross-sectional area, and a 15m one has over six times the area. This means that fabrication and test procedures will need to be reexamined to account for the sheer size and weight of the aeroshell components. This will affect a variety of steps in the manufacturing process, such as: stacking the tori during assembly, stitching the structural webbing, initial inflation of tori, and stitching of F-TPS gores. Additionally, new approaches and hardware will be required for handling and ground testing of both individual tori and the fully assembled HIADs. There are also noteworthy benefits of scaling up the HIAD aeroshell to 15m-class system. Two complications in working with handmade textiles structures are the non-linearity of the materials and the role of human accuracy during fabrication. Larger, more capable, HIAD structures should see much larger operational loads, potentially bringing the structural response of the materials out of the non-linear regime and into the preferred linear response range. Also, making the reasonable assumption that the magnitude of fabrication accuracy remains constant as the structures grow, the relative effect of fabrication errors should decrease as a percentage of the textile component size. Combined, these two effects improve the predictive capability and the uniformity of the structural response for a 12-15m class HIAD. In this paper, the challenges and associated mitigation plans related to scaling up the HIAD stacked-torus aeroshell to a 15m class system will be discussed. In addition, the benefits of enlarging the structure will be further explored.

Decellerators↗

NASA NTRS2016

Manufacturing Challenges and Benefits When Scaling the HIAD Stacked-Torus Aeroshell to a 15 Meter Class System

Over a decade of work has been conducted in the development of NASA's Hypersonic Inflatable Aerodynamic Decelerator (HIAD) deployable aeroshell technology. This effort has included multiple ground test campaigns and flight tests culminating in the HIAD project's second generation (Gen-2) aeroshell system. The HIAD project team has developed, fabricated, and tested stacked-torus inflatable structures (IS) with flexible thermal protection systems (F-TPS) ranging in diameters from 3-6 meters, with cone angles of 60 and 70 degrees. To meet NASA and commercial near-term objectives, the HIAD team must scale the current technology up to 12-15 meters in diameter. Therefore, the HIAD project's experience in scaling the technology has reached a critical juncture. Growing from a 6-meter to a 15-meter class system will introduce many new structural and logistical challenges to an already complicated manufacturing process. Although the general architecture and key aspects of the HIAD design scale well to larger vehicles, details of the technology will need to be reevaluated and possibly redesigned for use in a 15-meter-class HIAD system. These include: layout and size of the structural webbing that transfers load throughout the IS, inflatable gas barrier design, torus diameter and braid construction, internal pressure and inflation line routing, adhesives used for coating and bonding, and F-TPS gore design and seam fabrication. The logistics of fabricating and testing the IS and the F-TPS also become more challenging with increased scale. Compared to the 6-meter aeroshell (the largest HIAD built to date), a 12-meter aeroshell has four times the cross-sectional area, and a 15-meter one has over six times the area. This means that fabrication and test procedures will need to be reexamined to account for the sheer size and weight of the aeroshell components. This will affect a variety of steps in the manufacturing process, such as: stacking the tori during assembly, stitching the structural webbing, initial inflation of tori, and stitching of F-TPS gores. Additionally, new approaches and hardware will be required for handling and ground testing of both individual tori and the fully assembled HIADs. There are also noteworthy benefits of scaling up the HIAD aeroshell to a 15m-class system. Two complications in working with handmade textile structures are the non-linearity of the material components and the role of human accuracy during fabrication. Larger, more capable, HIAD structures should see much larger operational loads, potentially bringing the structural response of the material components out of the non-linear regime and into the preferred linear response range. Also, making the reasonable assumption that the magnitude of fabrication accuracy remains constant as the structures grow, the relative effect of fabrication errors should decrease as a percentage of the textile component size. Combined, these two effects improve the predictive capability and the uniformity of the structural response for a 12-15-meter HIAD. In this presentation, a handful of the challenges and associated mitigation plans will be discussed, as well as an update on current manufacturing and testing that addressing these challenges.

Infatables↗

NASA NTRS2016

Manufacturing Challenges and Benefits when Scaling the HIAD Stacked-Torus Aeroshell to a 15m-Class System

Over a decade of work has been conducted in the development of NASAs Hypersonic Inflatable Aerodynamic Decelerator (HIAD) deployable aeroshell technology. This effort has included multiple ground test campaigns and flight tests culminating in the HIAD projects second generation (Gen-2) aeroshell system. The HIAD project team has developed, fabricated, and tested stacked-torus inflatable structures (IS) with flexible thermal protection systems (F-TPS) ranging in diameters from 3-6m, with cone angles of 60 and 70 deg. To meet NASA and commercial near term objectives, the HIAD team must scale the current technology up to 12-15m in diameter. Therefore, the HIAD projects experience in scaling the technology has reached a critical juncture. Growing from a 6m to a 15m-class system will introduce many new structural and logistical challenges to an already complicated manufacturing process.Although the general architecture and key aspects of the HIAD design scale well to larger vehicles, details of the technology will need to be reevaluated and possibly redesigned for use in a 15m-class HIAD system. These include: layout and size of the structural webbing that transfers load throughout the IS, inflatable gas barrier design, torus diameter and braid construction, internal pressure and inflation line routing, adhesives used for coating and bonding, and F-TPS gore design and seam fabrication. The logistics of fabricating and testing the IS and the F-TPS also become more challenging with increased scale. Compared to the 6m aeroshell (the largest HIAD built to date), a 12m aeroshell has four times the cross-sectional area, and a 15m one has over six times the area. This means that fabrication and test procedures will need to be reexamined to ac-count for the sheer size and weight of the aeroshell components. This will affect a variety of steps in the manufacturing process, such as: stacking the tori during assembly, stitching the structural webbing, initial inflation of tori, and stitching of F-TPS gores. Additionally, new approaches and hardware will be required for handling and ground testing of both individual tori and the fully assembled HIADs.There are also noteworthy benefits of scaling up the HIAD aeroshell to a 15m-class system. Two complications in working with handmade textile structures are the non-linearity of the material components and the role of human accuracy during fabrication. Larger, more capable, HIAD structures should see much larger operational loads, potentially bringing the structural response of the material components out of the non-linear regime and into the preferred linear response range. Also, making the reasonable assumption that the magnitude of fabrication accuracy remains constant as the structures grow, the relative effect of fabrication errors should decrease as a percentage of the textile component size. Combined, these two effects improve the predictive capability and the uniformity of the structural response for a 12-15m HIAD.In this presentation, a handful of the challenges and associated mitigation plans will be discussed, as well as an update on current 12m aeroshell manufacturing and testing that is addressing these challenges

Infatables↗

DOE OSTI2026

Neutrino Flavor Classification in ICARUS Experiment Using Convolutional Visual Networks

In this work, I adapt the Convolutional Visual Network (CVN) approach to the ICARUS detector by incorporating TPC stitching methods inspired by NuGraph. The stitching technique used here is unique to ICARUS, designed specifically to handle its distinct detector segmentation s. I then retrain the network using ICARUS-specific data. This study underscores the flexibility of deep learning models in high-energy physics and the importance of accounting for detector-specific features when transferring machine learning techniques between experiments. This dissertation presents the methods, classification performance, and insights gained from applying CVN to ICARUS data.

Wieler, Felipe Andre [Parana Tech. Fed. U., Toledo↗

NASA NTRS2021

ISAAC

This document describes the ISAAC (Integrated Structural Assembly of Advanced Composites) robotic system. ISAAC is a highly accurate, automated robotic platform used to support research on the design, analysis, manufacturing and evaluation of advanced composite materials and structures. ISAAC can build composite parts using automated fiber placement (AFP) and stitching through the thickness of dry fabric. The system is frequently upgraded to include new capabilities. ISAAC is located at the NASA Langley Research Center

carbon-epoxy↗

NASA NTRSDate not supplied

Mass Estimation Relationship for Conceptual Design of Blended-Wing-Body Cabin with Advanced Structures

Blended-Wing-Body (BWB) aircraft concepts achieve higher lift-to-drag ratios (L/D) than conventional tube and wing aircraft due to aerodynamic shaping of the non-circular pressure vessel that is made feasible using advanced composite technologies such as Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS). Due to the relatively new nature of the BWB configuration, sufficient historical data is not readily available for conceptual aircraft designers to base their structural weight estimations on, especially for estimating weights of the pressurized cabin center body. This paper describes a general parametric Mass Estimation Relationship (MER) based on high fidelity Finite Element Analysis (FEA) using PRSEUS for conceptual weight estimation of a BWB pressurized cabin structure that includes cabin area, center body sweep, fineness ratio, span ratio, and take-off gross weight as parametric design variables.

PRSEUS↗

NASA NTRSDate not supplied

Mass Estimation Relationship for Conceptual Design of Blended-Wing-Body Cabin with Advanced Structures

BWB↗

DOE OSTI2024

Analysis and Design for Sustainable Circularity of Barrier Films Used in Sheet Molding Composites Production

Sheet molding composites (SMC) are thermoset based molding compounds with a global market size of USD 2.1 billion in 2020. SMC is usually processed with multilayer barrier/carrier films to prevent emissions from volatile organic compounds (VOC). The plastic barriers are separated from SMC after the curing process and discarded. To illustrate the high consumption volume of SMC barrier/carrier films, Kohler Co., a company which uses SMC in their bath and showering product lines, alone generates over 1M lb/year of SMC barrier/carrier film waste. Therefore, high amount of SMC barrier/carrier film plastic waste creates a great opportunity for reusing, recycling, or valorization at its end of life. This can be achieved through transition from a linear to a circular supply chain design. However, this transition will not be feasible without overcoming the technical and economic barriers. This project aims to tackle this by making the film circular. Different end of life alternatives will be evaluated experimentally. The reusability of the film will be studied through applying different mechanical and solvent cleaning techniques. The operability concerns regarding the utilization of the cleaned film for long run operations will be addressed by thermally stitching the film. Pelletizing of the cleaned film will also be investigated as a viable technique for recycling or downcycling of the film as molded products. In addition to technical barriers, designing a sustainable circular supply chain for SMC carrier film products requires uncovering the collaboration opportunities between suppliers and users at different stages of the value chain to expand its use to other products. These opportunities will be investigated by finding companies willing to buy or treat the plastic film waste. Finally, the economic viability and environmental impacts of these circular design alternatives will be evaluated through techno-economic assessment (TEA) and life cycle analysis (LCA). Techno-economic and life cycle inventory data for various pathways will also be made available as one of the main outcomes of this project. Preliminary LCA results indicate that the current SMC film supply chain (base case) emits 5.81 tonne CO2 eq. and consumes 104 GJ energy per tonne of SMC film. It is estimated that alternative circular pathways result in 14-20% less CO2 emissions and 34-44% reduction in embodied energy. This project will develop a tool to analyze the circularity and sustainability of hundreds of combinations of alternatives in different life cycle stages. Users of this tool will be able to choose the best combination among these alternatives with respect to the selected economic, environmental and circularity objectives.

circular economy↗

DOE OSTI2025

Wide‐Field Bond Quality Evaluation Using Frequency Domain Thermoreflectance with Deep Neural Network Feature Reconstruction

Heterogeneous integration of microelectronic components provides a pathway to improve circuit/component performance; however, this comes with assembly challenges, in particular due to complex interfaces via subsurface bump bonds. The ability of these bonds to transmit electrical signals and conduct heat to the carrier substrate limits component performance. In this work, hyperspectral frequency‐domain thermoreflectance (FDTR) imaging is demonstrated as a robust technique for evaluating the quality of subsurface indium bump bonds in a surrogate microelectronic sample. By performing microscale FDTR imaging with coarse motion image stitching, thermal phase maps that cover a 4 mm by 4 mm field‐of‐view with subsurface feature sensitivity at depths greater than 50 µm are obtained. The resulting FDTR hyperspectral data contains more than three million pixels and reveal the quality of subsurface microbump arrays. Wide‐field analysis of bonded versus gap regions is enabled by deep neural network feature reconstruction, that after training, rapidly provides an interpretable representation of bond quality. Utility of noisy higher frequency FDTR phase maps, i.e., near the computationally predicted sensing depth limit, results in an average prediction error of 11%. Taken together, FDTR with neural network‐based analysis demonstrates subsurface bond monitoring at length scales relevant for heterogeneously integrated microelectronics.

FDTR↗

DOE OSTI2023

Photonics in Multimaterial Lateral Heterostructures Combining Group IV Chalcogenide van der Waals Semiconductors

Abstract Lateral heterostructures combining two multilayer group IV chalcogenide van der Waals semiconductors have attracted interest for optoelectronics, twistronics, and valleytronics, owing to their structural anisotropy, bulk‐like electronic properties, enhanced optical thickness, and vertical interfaces enabling in‐plane charge manipulation/separation, perpendicular to the trajectory of incident light. Group IV monochalcogenides support propagating photonic waveguide modes, but their interference gives rise to complex light emission patterns throughout the visible/near‐infrared range both in uniform flakes and single‐interface lateral heterostructures. Here, this work demonstrates the judicious integration of pure and alloyed monochalcogenide crystals into multimaterial heterostructures with unique photonic properties, notably the ability to select photonic modes with targeted discrete energies through geometric factors rather than band engineering. SnS‐GeS 1− x Se x ‐GeSe‐GeS 1− x Se x heterostructures with a GeS 1− x Se x active layer sandwiched laterally between GeSe and SnS, semiconductors with similar optical constants but smaller bandgaps, were designed and realized via sequential vapor transport synthesis. Raman spectroscopy, electron microscopy/diffraction, and energy‐dispersive X‐ray spectroscopy confirm a high crystal quality of the laterally stitched components with sharp interfaces. Nanometer‐scale cathodoluminescence spectroscopy provides evidence for a facile transfer of electron–hole pairs across the lateral interfaces and demonstrates the selection of photon emission at discrete energies in the laterally embedded active (GeS 1− x Se x ) part of the heterostructure.

2D layered crystals↗

DOE OSTI2021

Intramedullary Unicortical Button and All-Suture Anchors Provide Similar Maximum Strength for Onlay Distal Biceps Tendon Repair

To evaluate the biomechanical profile of onlay distal biceps repair with an intramedullary unicortical button versus all-suture anchors under cyclic loading and maximal load to failure. Twenty paired fresh-frozen human cadaveric elbows were randomized to onlay distal biceps repair with either a single intramedullary button or with two 1.35-mm all-suture anchors. A 1.3-mm high tensile strength tape was used in a Krackow stitch to suture the tendons in both groups. Specimens and repair constructs were loaded for 3,000 cycles and then loaded to failure. Maximum load to failure, mode of failure, and construct elongation were recorded. Mean (± standard deviation) maximum load to failure for the unicortical intramedullary button and all-suture anchor repairs were 503.23 ± 141.77 N and 537.33 ± 262.13 N (P = .696), respectively. Mean maximum displacement after 3,000 cycles (± standard deviation) was 4.17 ± 2.05 mm in the button group and 2.06 ± 1.05 mm in the suture anchor group (P = .014). Mode of failure in the button group was suture tape rupture in 7 specimens, failure at the tendon–suture interface in 2 specimens, and button pullout in 1 specimen. Anchor pullout was the mode of failure in all suture anchor specimens. There were no tendon ruptures or radial tuberosity fractures in either group. In conclusion, this study demonstrates that onlay distal biceps repair with 2 all-suture anchors has similar maximum strength to repair with an intramedullary button and that both are viable options for fixation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Montage electron tomography of vitrified specimens

Cryo-electron tomography provides detailed views of macromolecules in situ. However, imaging a large field of view to provide more cellular context requires reducing magnification during data collection, which in turn restricts the resolution. To circumvent this trade-off between field of view and resolution, we have developed a montage data collection scheme that uniformly distributes the dose throughout the specimen. In this approach, sets of slightly overlapping circular tiles are collected at high magnification and stitched to form a composite projection image at each tilt angle. These montage tilt-series are then reconstructed into massive tomograms with a small pixel size but a large field of view. For proof-of-principle, we applied this method to the thin edge of HeLa cells. Thon rings to better than 10 Å were detected in the montaged tilt-series, and diverse cellular features were observed in the resulting tomograms. These results indicate that the additional dose required by this technique is not prohibitive to performing structural analysis to intermediate resolution across a large field of view. We anticipate that montage tomography will prove particularly useful for lamellae, increase the likelihood of imaging rare cellular events, and facilitate visual proteomics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Integration of layered group IV selenides: From SnSe–SnSe 2-x S x core-shell crystals to complex (SnSe–SnSe 2-x S x )-GeSe van der waals heterostructures

The layered semiconductor tin selenide (SnSe) has received extensive interest due to its promising thermoelectric and ferroelectric properties. Integrating SnSe with other layered crystals in heterostructures can enable the modification of charge- and thermal transport, electrical polarization, and other properties such as chemical stability, optoelectronics, and photonics. Here, we demonstrate the vapor transport synthesis of single-crystalline SnSe monochalcogenide flakes that are spontaneously encapsulated in a thin layered SnSe 2-x S x dichalcogenide shell. In a second growth step, such SnSe-SnSe 2-x S x heterostructures are integrated with the monochalcogenide GeSe, which is laterally stitched to the SnSe side facets while preserving the dichalcogenide shell across the basal facets. This architecture is confirmed by optical microscopy, electron microscopy and diffraction, energy dispersive X-ray and Raman spectroscopies, as well as cathodoluminescence spectroscopy. Furthermore, the results extend our capabilities for materials integration by forming complex heterostructures with both vertical van der Waals interfaces and covalent lateral interfaces between layered semiconductors.

2D layered crystals↗

DOE OSTI2021

Strain-Induced Growth of Twisted Bilayers during the Coalescence of Monolayer MoS 2 Crystals

Tailoring the grain boundaries (GBs) and twist angles between two-dimensional (2D) crystals are two crucial synthetic challenges to deterministically enable envisioned applications such as moiré excitons, emerging magnetism, or single-photon emission. Here, we reveal how twisted 2D bilayers can be synthesized from the collision and coalescence of two growing monolayer MoS 2 crystals during chemical vapor deposition. The twisted bilayer (TB) moiré angles are found to preserve the misorientation angle (θ) of the colliding crystals. The shapes of the TB regions are rationalized by a kink propagation model that predicts the GB formed by the coalescing crystals. Optical spectroscopy measurements reveal a θ-dependent long-range strain in crystals with stitched grain boundaries and a sharp (θ > 20°) threshold for the appearance of TBs, which relieves this strain. Reactive molecular dynamics simulations explain this strain from the continued growth of the crystals during coalescence due to the insertion of atoms at unsaturated defects along the GB, a process that self-terminates when the defects become saturated. The simulations also reproduce atomic-resolution electron microscopy observations of faceting along the GB, which is shown to arise from the growth-induced long-range strain. These facets align with the axes of the colliding crystals to provide favorable nucleation sites for second-layer growth of a TB with twist angles that preserve the misorientation angle θ. This interplay between strain generation and aligned nucleation provides a synthetic pathway for the growth of TBs with deterministic angles.

2D materials↗

DOE OSTI2023

Lateral Integration of SnS and GeSe van der Waals Semiconductors: Interface Formation, Electronic Structure, and Nanoscale Optoelectronics

The emergence of atomically thin crystals has allowed extending materials integration to lateral heterostructures where different 2D materials are covalently connected in the plane. The concept of lateral heterostructures can be generalized to thicker layered crystals, provided that a suitably faceted seed crystal presents edges to which a compatible second van der Waals material can be attached layer by layer. Here, we examine the possibility of integrating multilayer crystals of the group IV monochalcogenides SnS and GeSe, which have the same crystal structure, small lattice mismatch, and similar bandgaps. In a two-step growth process, lateral epitaxy of GeSe on the sidewalls of multilayer SnS flakes (obtained by vapor transport of a SnS 2 precursor on graphite) yields heterostructures of laterally stitched crystalline GeSe and SnS without any detectable vertical overgrowth of the SnS seeds and with sharp lateral interfaces. Combined cathodoluminescence spectroscopy and ab initio calculations show the effects of small band offsets on carrier transport and radiative recombination near the interface. Further, the results demonstrate the possibility of forming atomically connected lateral interfaces across many van der Waals layers, which is promising for manipulating optoelectronics, photonics, and for managing charge- and thermal transport.

2D layered crystals↗