Low Twist Angles Research Articles

Structure-Mechanical Property Relationships in Carbon Nanotube Yarns

Carbon nanotube (CNT) is an innovative material with significant potential for a wide range of applications, including but not limited to the development of lightweight composite materials or superconductors. A single CNT demonstrates an exceptional degree of tensile strength. CNTs are commonly employed in a structure of yarn, wherein several CNT strands are arranged and aligned together. CNT yarns, on the other hand, have a lower tensile strength than individual CNTs due to the different parameters of the yarn. This study aimed to investigate the effect of different structural parameters on the mechanical properties of CNT yarn. Sixty CNT yarn models with different structures were simulated with the molecular dynamic (MD) simulation. The varied parameters are the chirality of the CNTs, CNTs’ inner diameter, number of walls, crosslink density, and yarn twist angle. Tensile strength results from the simulations were compared concerning the varied parameters, and their influence on the nominal tensile strength of the CNT yarn was studied. It was found that the parameters for the CNT yarn that yields a higher tensile strength are the armchair type CNT with a small diameter, a large number of walls, crosslink density higher than approximately 1%, and a low twist angle.

Spatial arrangements and types of dislocations in interfacial networks obtained by Si(001) wafer bonding at low twist angle: A TEM characterization

Two interfacial dislocation networks were obtained in a Si–Si material system by wafer bonding process for low twist angles around 0.2°. For one sample, one of the two initial wafers was rotated with an additional angle of 90° before the bonding. TEM analyses of samples prepared for planar and transverse views show different characteristics in terms of spatial arrangement and dislocation types. Long climbing segments slightly deviated from the [100] axis and short segments a/2<101> are arranged in the dislocation network obtained with an additional rotation and at the lowest twist angle (Ψ = 0.18°) from a <110> axis. Long screw segments a/2<110> and short partial Shockley segments are arranged in the dislocation network obtained without any additional rotation at the highest twist angle (Ψ = 0.27°) from a <110> axis. In both cases, the long and short segments form elongated hexagonal patterns, which are accurately ordered in one set paving the <100> directions or randomly ordered in two perpendicular sets paving the <110> directions, respectively. The results are discussed taking into account the arangement of the surface miscut steps in the initial wafers before the bonding.

Excitonic Thermalization Bottleneck in Twisted TMD Heterostructures.

Twisted van der Waals heterostructures show intriguing interface exciton physics, including hybridization effects and emergence of moiré potentials. Recent experiments have revealed that moiré-trapped excitons exhibit remarkable dynamics, where excited states show lifetimes that are several orders of magnitude longer than in monolayers. The origin of this behavior is still under debate. Based on a microscopic many-particle approach, we investigate the phonon-driven relaxation cascade of nonequilibrium moiré excitons in the exemplary MoSe2-WSe2 heterostructure. We track exciton relaxation pathways across different moiré mini-bands and identify the phonon-scattering channels assisting the spatial redistribution of excitons into low-energy pockets of the moiré potential. We unravel a phonon bottleneck in the flat band structure at low twist angles preventing excitons from fully thermalizing into the lowest state, explaining the measured enhanced emission intensity and lifetime of excited moiré excitons. Overall, our work provides important insights into exciton relaxation dynamics in flat-band exciton materials.

Helical dislocation in twisted bilayer graphene

We observe helical dislocation network in twisted bilayer graphene (tBLG), which is accompanied by large out-of-plane deformation. By atomistic calculations, we demonstrate two distinct out-of-plane deformation modes, breathing mode with small out-of-plane deformation and bending mode with one order larger corrugation magnitude compared to the breathing mode. The out-of-plane deformation is caused by inhomogeneous interlayer coupling resulting from the periodic stacking order of the tBLG moiré superlattice. Instead of commonly observed screw dislocation in tBLG, we demonstrate a slip-induced helical dislocation network in the bending mode tBLG. We show that bending mode deformation is more stable at low twist angles, as the energy savings due to interface energy exceeds the energy penalty due to the strain energy caused by the large out-of-plane deformation. Our work provides a detailed picture of a new helical dislocation structure in tBLG and establishes a direct connection between the dislocation and deformation. Therefore, understanding the dislocation mechanics of tBLG may open up the possibility to control the corrugation, and reveal an opportunity to tune the intriguing physical properties of twisted bilayer graphene.

Twisted cuprate van der Waals heterostructures with controlled Josephson coupling

Twisted van der Waals (vdW) heterostructures offer a unique platform for engineering the efficient Josephson coupling between cuprate thin crystals harboring the nodal superconducting order parameter. Preparing the vdW heterostructures-based Josephson junction comprising stacked cuprates requires maintaining an ordered interface with preserved surface superconductivity. Here, we report the preparation of the Josephson junction out of the stacked Bi2Sr2CaCu2O8+d crystals using the cryogenic dry transfer technique and encapsulating the junction with an insulating layer, that protects the interface during the electrical contacts evaporation at the 1 × 10−6 mbar base pressure. We find that the Josephson critical current Ic has a maximum at low twist angles, comparable to that of the bulk intrinsic Josephson junctions, and is reduced by two orders of magnitude at twist angles close to 45°. The reduction of Ic occurs due to a mismatch between superconducting d-wave order parameters, which suppresses the direct Cooper pair tunneling.

Inferior fatigue resistance of additively-manufactured Ni-based superalloy 718 and its dominating factor

Push-pull and torsional fatigue tests were conducted using additively-manufactured, Ni-based superalloy 718 samples with various defects and different microstructures, aiming to comprehensively examine fatigue limit determining factors such as detrimental defects and microstructural features. Test results revealed that the fatigue limit in each loading condition was governed by a shear-mode, crack-growth threshold, exhibiting a crack-size dependence similar to that of the wrought alloy. The additively-manufactured materials displayed a substantially reduced crack threshold as compared to wrought ones, potentially attributed to a high volume of low twist angles between neighboring crack-planes.

Covalent bonded bilayers from germanene and stanene with topological giant capacitance effects

The discovery of twisted bilayer graphene with tunable superconductivity has diverted great focus at the world of twisted van der Waals heterostructures. Here we propose a paradigm for bilayer materials, where covalent bonding replaces the van der Waals interaction between the layers. On the example of germanene-stanene bilayer, we show that such systems demonstrate fascinating topological properties and manifest giant capacitance effects of the order of C = 102μ F as well as dipole-like charge densities of q = 1 − 2 × 10−4μ C cm−2, showing promise for 2D ferroelectricity. The observed unique behaviour is closely linked to transverse strain-induced buckling deformations at the bilayer/substrate interface. In alternative GeSn bilayer structures with low twist angles the strain distortions trigger rich topological defect physics. We propose that the GeSn bilayer topology may be switched locally by a substrate-strain-induced electric fields. We demonstrate an approach to fabricate covalent bilayer materials, holding vast possibilities to transform applications technologies across solar, energy and optoelectronic sectors.

Torsional periodic lattice distortions and diffraction of twisted 2D materials

Twisted 2D materials form complex moiré structures that spontaneously reduce symmetry through picoscale deformation within a mesoscale lattice. We show twisted 2D materials contain a torsional displacement field comprised of three transverse periodic lattice distortions (PLD). The torsional PLD amplitude provides a single order parameter that concisely describes the structural complexity of twisted bilayer moirés. Moreover, the structure and amplitude of a torsional periodic lattice distortion is quantifiable using rudimentary electron diffraction methods sensitive to reciprocal space. In twisted bilayer graphene, the torsional PLD begins to form at angles below 3.89° and the amplitude reaches 8 pm around the magic angle of 1. 1°. At extremely low twist angles (e.g. below 0.25°) the amplitude increases and additional PLD harmonics arise to expand Bernal stacked domains separated by well defined solitonic boundaries. The torsional distortion field in twisted bilayer graphene is analytically described and has an upper bound of 22.6 pm. Similar torsional distortions are observed in twisted WS2, CrI3, and WSe2/MoSe2.

Selective Conversion of Unactivated C-N Amide Bond to C-C bond via Steric and Electronic Resonance Destabilization.

The chemo- and site-selective reaction at the particular C-N amide bond among a sea of other amides is a significant and long-standing challenge. Although the use of twisted amides has been demonstrated for modifications of inert C-N amide bonds, none of these methods can selectively activate a particular amide bond for C-C bond formation in the presence of similar amides. Using density functional theory as a guide, we report the first site-selective C-C bond modification of a particular C-N amide bond in polyamides with a low twist angle by combining ground-state steric distortion with electronic activation.

Twist Angle-Dependent Molecular Intercalation and Sheet Resistance in Bilayer Graphene

Bilayer graphene (BLG) has a two-dimensional (2D) interlayer nanospace that can be used to intercalate molecules and ions, resulting in a significant change of its electronic and magnetic properties. Intercalation of BLG with different materials, such as FeCl3, MoCl5, Li ions, and Ca ions, has been demonstrated. However, little is known about how the twist angle of the BLG host affects intercalation. Here, by using artificially stacked BLG with controlled twist angles, we systematically investigated the twist angle dependence of intercalation of metal chlorides. We discovered that BLG with high twist angles of >15° is more favorable for intercalation than BLG with low twist angles. Density functional theory calculations suggested that the weaker interlayer coupling in high twist angle BLG is the key for effective intercalation. Scanning transmission electron microscope observations revealed that co-intercalation of AlCl3 and CuCl2 molecules into BLG gives various 2D structures in the confined interlayer nanospace. Moreover, before intercalation we observed a significantly lower sheet resistance in BLG with high twist angles (281 ± 98 Ω/□) than that in AB stacked BLG (580 ± 124 Ω/□). Intercalation further decreased the sheet resistance, reaching values as low as 48 Ω/□, which is the lowest value reported so far for BLG. This work provides a twist angle-dependent phenomenon, in which enhanced intercalation and drastic changes of the electrical properties can be realized by controlling the stacking angle of adjacent graphene layers.

Interfacial chemical vapor deposition of wrinkle-free bilayer graphene on dielectric substrates

Wrinkles invariably form during graphene growth and post-growth transfer, limiting graphene films' large-scale uniformity for electronic applications. We report a transfer-free synthesis route for highly-uniform bilayer graphene directly on dielectric substrates—SiO2, sapphire, and MgO—by interfacial carbon precipitation. Ultrathin Pd leaves having a thickness of 150 nm and grain size up to 100 µm are laminated onto the target dielectric substrate, followed by annealing and press rolling to form a uniform Pd-substrate interface. Rapid heating in a hydrocarbon atmosphere causes carbon diffusion through the Pd layer; upon cooling, precipitation of carbon results in graphene growth at the Pd-substrate interface. The interface-grown graphene remains on the substrate after removing the Pd layer by wet etching. It exhibits sub-nm surface roughness without wrinkles or folds. Over 94 % of the interface-grown area is dominated by bilayer graphene with low twist angles. In addition, the interface-grown graphene is nearly strain-free. From Raman characterization, an average long-range scattering mobility of ∼1000 cm2 V−1 s−1 was estimated for as-grown bilayer graphene on sapphire (0001) at room temperature. This technique shows promise to achieve device scale, ultra-uniform graphene fabrication directly on dielectric substrates, with the potential to accelerate graphene applications in electronics, photonics, and sensing.

Precise Assembly of Highly Crystalline Colloidal Photonic Crystals inside the Polyester Yarns: A Spray Coating Synthesis for Breathable and Durable Fabrics with Saturated Structural Colors

AbstractIt is a great challenge to prepare highly crystalline photonic crystal (PC)‐modified fabrics with saturated colors without sacrificing the wearing experience, such as breathability and softness, at the same time. Here, a spray coating process is developed to precisely assemble the colloidal PCs inside every yarn of the polyester (PET) fabric. High surface tension and high boiling point for the solvent of colloidal solution, as well as low twist angle, large weave cycles, and large tightness for the fabric substrate, are found to be favorable to the formation of high‐quality PC‐modified fabrics. In addition, the as‐prepared PC/PET fabrics have saturated and durable colors thanks to the highly crystalline PC structures and the polyacrylate adhesives. They also possess good softness and high breathability as the precise colloidal assembly in the yarn avoids the blocking of weaving holes and cracks.

Very high thermoelectric power factor near magic angle in twisted bilayer graphene

Recent research on twisted bilayer graphene (TBG) uncovered that its twist-angle-dependent electronic structure leads to a host of unique properties, such as superconductivity, correlated insulating states, and magnetism. The flat bands that emerge at low twist angles in TBG result in sharp features in the electronic density of states, affecting transport. Here we show that they lead to superior and tuneable thermoelectric (TE) performance. Combining an iterative Boltzmann transport equation solver and electronic structure from an exact continuum model, we calculate TE transport properties of TBG at different twist angles, carrier densities, and temperatures. Our simulations show the room-temperature TE power factor (PF) in TBG reaches 40 mW m−1 K−2, significantly higher than single-layer graphene and among the highest reported to date. The peak PF is observed near the magic angle, at a twist angle of ≈1.3∘, and near complete band filling. We elucidate that its dependence is driven by two opposing forces: the band gap between the flat and remote bands suppresses bipolar transport and improves the Seebeck coefficient but the gap decreases with twist angle; on the other hand, the Fermi velocity, which impacts conductivity, is smallest at the magic angle and rises with twist angle. We observed a further increase in the PF of TBG with decreasing temperature. The strong TE performance, along with the ability to fine-tune transport using twist angle, makes TBG an interesting candidate for future research and applications in energy conversion and thermal sensing and management.

An efficient computational framework for charge density estimation in twisted bilayer graphene

Electronic properties such as band structure and Fermi velocity in low-angle twisted bilayer graphene (TBG) are intrinsically dependent on the atomic structure. Rigid rotation between individual graphene layers provides an approximate description of the bilayer symmetry. Upon relaxation, in-plane displacement of the atoms in low angle TBG causes a change in the symmetry through the enlargement of the AB stacking regions and the reduction in size of AA and SP stacking regions. However, the effect of this in-plane relaxation on the charge density remains unexplored, because the necessary electronic structure calculations of such large supercells of low twist angle TBG are computationally infeasible. Therefore, we develop a computationally efficient framework that enables the exploration of the charge density symmetry of the low twist angle TBG. This framework is based on the Fourier representation of the charge density which presents high intensity Bragg peaks. We find that with the decrease of twist angle, low intensity satellite peaks also become apparent. Our framework incorporates these satellite peaks which reveals transformation of symmetry in the charge density distribution from high to low twist angle TBG. One striking outcome is the demonstration of the electron localization in the AA region of low twist angle TBG. Our framework helps to explain the effect of the atomistic relaxation on the charge density distribution and thus, it provides information about exotic electronic properties of low twist angle TBG at a low computational expense.

Replication of the tensile behavior of knee ligaments using architected acrylic yarn

Knee ligament injury diagnosis is achieved by a comparison between the laxity levels sensed by a clinician in the injured and healthy limb. This is a difficult-to-learn task that requires hands-on practice to achieve proficiency. The inclusion of a physical knee simulator with biomechanically realistic passive components such as knee ligaments could provide consistent training for medical students and lead to improved care for knee injury patients. In this study, we developed a material construct that is both adaptable to a physical knee model and capable of replicating the non-linear mechanical behavior of knee ligaments with the use of helically arranged acrylic yarn. The microstructure of four different types of acrylic yarn were measured and then tested under uniaxial tension. While the fiber twist angle was similar amongst the four yarn types (range = 17.9–18.8°), one yarn was distinct with a low ply twist angle (15.2 ± 1.6°) and high packing fraction (Φ=0.32±0.08). These microstructural differences yielded a lower toe length and higher stiffness and best corresponded to ligament mechanical behavior. We then made looped-yarn constructs to modulate the sample's toe length and stiffness. We found that the load-displacement curve of the construct can be tuned by changing the loop length and loop number of the looped-yarn constructs, matching the load-displacement curve of specific knee ligaments. This study shows how spun yarn can be used to replicate the mechanical behavior of knee ligaments, creating synthetic ligament constructs that could enable the construction of biomechanically realistic joints.

Effective continuum model for relaxed twisted bilayer graphene and moiré electron-phonon interaction

We construct an analytic continuum model to describe the electronic structure and the electron-phonon interaction in twisted bilayer graphenes with arbitrary lattice deformation. Starting from the tight-binding model, we derive the interlayer Hamiltonian in the presence of general lattice displacement, and obtain a long-wavelength continuum expression for smooth deformation. We show that the continuum model correctly describes the band structures of the lattice-relaxed twisted bilayer graphenes. We apply the formula to the phonon vibration, and derive an explicit expression of the electron-phonon matrix elements between the moir\'{e} band states and the moir\'{e} phonon modes. By numerical calculation, we find that the electron-phonon coupling and phonon mediated electron-electron interaction are significantly enhanced in low twist angles due to the superlattice hybridization.

Impurity-scattering-induced carrier transport in twisted bilayer graphene

We theoretically calculate the impurity-scattering induced resistivity of twisted bilayer graphene at low twist angles where the graphene Fermi velocity is strongly suppressed. We consider, as a function of carrier density, twist angle, and temperature, both long-ranged Coulomb scattering and short-ranged defect scattering within a Boltzmann theory relaxation time approach. For experimentally relevant disorder, impurity scattering contributes a resistivity comparable to (much larger than) the phonon scattering contribution at high (low) temperatures. Decreasing twist angle leads to larger resistivity, and in general, the resistivity increases (decreases) with increasing temperature (carrier density). Inclusion of the van Hove singularity in the theory leads to a strong increase in the resistivity at higher densities, where the chemical potential is close to a van Hove singularity, leading to an apparent density-dependent plateau type structure in the resistivity, which has been observed in recent transport experiments. We also show that the Matthissen's rule is strongly violated in twisted bilayer graphene at low twist angles.

Investigation of fatigue crack propagation behavior of 5083 aluminum alloy under various stress ratios: Role of grain boundary and Schmid factor

The fatigue tolerance of 5083 aluminum (Al) alloy has attracted considerable research interest owing to its wide application in railway vehicle and shipbuilding industries. Thus, the fatigue crack propagation (FCP) behavior of this alloy is studied under various stress ratio (R) conditions. The results show that the higher R, the higher is FCP rate and the lower are threshold and fracture toughness. Microstructure examination of the crack path shows that the crack tends to propagate toward grains with lower twist angle and higher Schmid factor with an increase in R. The effect of R on FCP behavior was discussed from the microstructure perspective through a modified crystallographic model that considers the twist angle and the Schmid factor.

Many-body effects in twisted bilayer graphene at low twist angles

We study the zero-temperature many-body properties of twisted bilayer graphene with a twist angle equal to the so-called `first magic angle'. The system low-energy single-electron spectrum consists of four (eight, if spin label is accounted) weakly-dispersing partially degenerate bands, each band accommodating one electron per Moir{\'{e}} cell per spin projection. This weak dispersion makes electrons particularly susceptible to the effects of interactions. Introducing several excitonic order parameters with spin-density-wave-like structure, we demonstrate that (i)~the band degeneracy is partially lifted by the interaction, and (ii)~the details of the low-energy spectrum becomes doping-dependent. For example, at or near the undoped state, interactions separate the eight bands into two quartets (one quartet is almost filled, the other is almost empty), while for two electrons per Moir\'{e} cell, the quartets are pulled apart, and doublets emerge. When the doping is equal to one or three electrons per cell, the doublets split into singlets. Hole doping produces similar effects. As a result, electronic properties (e.g., the density of states at the Fermi energy) demonstrate oscillating dependence on the doping concentration. This allows us to reproduce qualitatively the behavior of the conductance observed recently in experiments [Cao et al., Nature {\bf 556}, 80 (2018)]. Near half-filling, the electronic spectrum loses hexagonal symmetry indicating the appearance of a many-body nematic state.

Research on the mechanism of the modified ring-spinning system using a dynamic twist-resistant device and its yarn quality

The spinning triangle is a critical area in the ring-spinning process; the geometry of the spinning triangle influences the distribution of the fiber tension, and affects the qualities of the spun yarn. In this paper, a kind of dynamic twist-resistant device that can affect the geometry of the spinning triangle is employed for improving the conventional ring-spinning system. The yarn twists between the front roller nip and dynamic twist-resistant device were captured in the spinning process using a high-speed camera. Comparing yarn twists of the two types of yarn, the modified yarns have a lower twist angle, indicating that the device can produce resistant torque. Particle Flow Code software was used to simulate the acts of the device on the yarn, and the results verified the existence of resistant torque. The resistant torque on the yarn affects the geometry of the spinning triangle and the distribution of fiber tension. In addition, 19.4 and 14.5 tex cotton yarns with three different twists, 700, 800 and 900 tpm, were produced by the modified and conventional ring spinning. The comparative study revealed that the modified yarns have a better performance in terms of yarn strength and hairiness, and show no significant difference in terms of the yarn evenness when compared with the conventional yarns at the same twist level. The mechanism of the effect of the dynamic twist-resistant device on yarn qualities is discussed by analyzing the distribution of fiber tension.