Flexible nanomechanical bit based on few-layer graphene.

Mechanical computers have gained intense research interest at size scales ranging from nano to macro as they may complement electronic computers operating in extreme environments. While nanoscale mechanical computers may be easier to integrate with traditional electronic components, most current nanomechanical computers are based on volatile resonator systems that require continuous energy input. In this study, we propose a non-volatile nanomechanical bit based on the quasi-stable configurations of few-layer graphene with void defects, and demonstrate its multiple quasi-stable states by deriving an analytic relationship for the void configuration based on a competition between the bending energy and the cohesive energy. Using this nanomechanical bit, typical logic gates are constructed to perform Boolean calculations, including NOT, AND, OR, NAND and NOR gates, and demonstrate reprogrammability between these logic gates. We also study the accuracy and the stability of the nanomechanical bits based on the few-layer graphene. These findings provide a novel approach to realize the nanomechanical computing process.

Surface Adatom Diffusion-Assisted Dislocation Nucleation in Metal Nanowires.

We employ a hybrid diffusion- and nucleation-based kinetic Monte Carlo model to elucidate the significant impact of adatom diffusion on incipient surface dislocation nucleation in metal nanowires. We reveal a stress-regulated diffusion mechanism that promotes preferential accumulation of diffusing adatoms near nucleation sites, which explains the experimental observations of strong temperature but weak strain-rate dependence as well as temperature-dependent scatter of the nucleation strength. Furthermore, the model demonstrates that a decreasing rate of adatom diffusion with an increasing strain rate will lead to stress-controlled nucleation being the dominant nucleation mechanism at higher strain rates. Overall, our model offers new mechanistic insights into how surface adatom diffusion directly impacts the incipient defect nucleation process and resulting mechanical properties of metal nanowires.

Exploiting elastic buckling of high-strength gold nanowire toward stable electrical probing.

Buckling is a loss of structural stability. It occurs in long slender structures or thin plate structures which is subjected to compressive forces. For the structural materials, such a sudden change in shape has been considered to be avoided. In this study, we utilize the Au nanowire's buckling instability for the electrical measurement. We confirmed that the high-strength single crystalline Au nanowire with an aspect ratio of 150 and 230-nm-diameter shows classical Euler buckling under constant compressive force without failure. The buckling instability enables stable contact between the Au nanowire and the substrate without any damage. Clearly, the in situ electrical measurement shows a transition of the contact resistance between the nanowire and the substrate from the Sharvin (ballistic limit) mode to the Holm (Ohmic) mode during deformation, enabling reliable electrical measurements. This study suggests Au nanowire probes exhibiting structural instability to ensure stable and precise electrical measurements at the nanoscale.

Efficient snap-through of spherical caps by applying a localized curvature stimulus.

In bistable actuators and other engineered devices, a homogeneous stimulus (e.g., mechanical, chemical, thermal, or magnetic) is often applied to an entire shell to initiate a snap-through instability. In this work, we demonstrate that restricting the active area to the shell boundary allows for a large reduction in its size, thereby decreasing the energy input required to actuate the shell. To do so, we combine theory with 1D finite element simulations of spherical caps with a non-homogeneous distribution of stimulus-responsive material. We rely on the effective curvature stimulus, i.e., the natural curvature induced by the non-mechanical stimulus, which ensures that our results are entirely stimulus-agnostic. To validate our numerics and demonstrate this generality, we also perform two sets of experiments, wherein we use residual swelling of bilayer silicone elastomers-a process that mimics differential growth-as well as a magneto-elastomer to induce curvatures that cause snap-through. Our results elucidate the underlying mechanics, offering an intuitive route to optimal design for efficient snap-through.

Elastic Instabilities Govern the Morphogenesis of the Optic Cup.

Because the normal operation of the eye depends on sensitive morphogenetic processes for its eventual shape, developmental flaws can lead to wide-ranging ocular defects. However, the physical processes and mechanisms governing ocular morphogenesis are not well understood. Here, using analytical theory and nonlinear shell finite-element simulations, we show, for optic vesicles experiencing matrix-constrained growth, that elastic instabilities govern the optic cup morphogenesis. By capturing the stress amplification owing to mass increase during growth, we show that the morphogenesis is driven by two elastic instabilities analogous to the snap through in spherical shells, where the second instability is sensitive to the optic cup geometry. In particular, if the optic vesicle is too slender, it will buckle and break axisymmetry, thus, preventing normal development. Our results shed light on the morphogenetic mechanisms governing the formation of a functional biological system and the role of elastic instabilities in the shape selection of soft biological structures.

Nonlinear buckling behavior of a complete spherical shell under uniform external pressure and homogenous natural curvature.

In this work, we consider the stability of a spherical shell under combined loading from a uniform external pressure and a homogenous natural curvature. Nonmechanical stimuli, such as one that tends to modify the rest curvature of an elastic body, are prevalent in a wide range of natural and engineered systems, and may occur due to thermal expansion, changes in pH, differential swelling, and differential growth. Here we investigate how the presence of both an evolving natural curvature and an external pressure modifies the stability of a complete spherical shell. We show that due to a mechanical analogy between pressure and curvature, positive natural curvatures can severely destabilize a thin shell, while negative natural curvatures can strengthen the shell against buckling, providing the possibility to design shells that buckle at or above the theoretical limit for pressure alone, i.e., a strengthening factor. These results extend directly from the classical analysis of the stability of shells under pressure, and highlight the important role that nonmechanical stimuli can have on modifying the membrane state of stress in a thin shell.

Graphene Origami with Highly Tunable Coefficient of Thermal Expansion.

The coefficient of thermal expansion, which measures the change in length, area, or volume of a material upon heating, is a fundamental parameter with great relevance for many applications. Although there are various routes to design materials with targeted coefficient of thermal expansion at the macroscale, no approaches exist to achieve a wide range of values in graphene-based structures. Here, we use molecular dynamics simulations to show that graphene origami structures obtained through pattern-based surface functionalization provide tunable coefficients of thermal expansion from large negative to large positive. We show that the mechanisms giving rise to this property are exclusive to graphene origami structures, emerging from a combination of surface functionalization, large out-of-plane thermal fluctuations, and the three-dimensional geometry of origami structures.

Valley-dependent topologically protected elastic waves using continuous graphene membranes on patterned substrates.

We present a novel structure for topologically protected propagation of mechanical waves in a continuous, elastic membrane using an analog of the quantum valley Hall effect. Our system involves a thin, continuous graphene monolayer lying on a pre-patterned substrate, and as such, it can be employed across multiple length scales ranging from the nano to macroscales. This enables it to support topologically-protected waves at frequencies that can be tuned from the kHz to GHz range by either selective pre-tensioning of the overlaying membrane, or by increasing the lattice parameter of the underlying substrate. We show through numerical simulations that this continuous system is robust against imperfections, is immune to backscattering losses, and supports topologically-protected wave propagation along all available paths and angles. We demonstrate the ability to support topologically-protected interface modes using monolayer graphene, which does not intrinsically support topologically non-trivial elastic waves.

Erratum: Accelerated Search and Design of Stretchable Graphene Kirigami Using Machine Learning [Phys. Rev. Lett. 121, 255304 (2018)].

This corrects the article DOI: 10.1103/PhysRevLett.121.255304.

Retrospective Comparison of Pulmonary Arteriovenous Malformation Embolization with the Polytetrafluoroethylene-Covered Nitinol Microvascular Plug, AMPLATZER Plug, and Coils in Patients with Hereditary Hemorrhagic Telangiectasia.

PURPOSE: To evaluate effectiveness of the polytetrafluoroethylene-covered nitinol mesh microvascular plug (MVP) and compare it with other devices in pulmonary arteriovenous malformation (PAVM) embolization in patients with hereditary hemorrhagic telangiectasia (HHT). MATERIALS AND METHODS: Twenty-five patients (average age 35 y; range, 15-56 y) with hereditary hemorrhagic telangiectasia (HHT) and de novo PAVM embolization with at least 1 MVP between November 2015 and May 2017 were retrospectively evaluated. Retrospective data were also obtained from prior embolization procedures in the same patient population with other embolic devices dating back to 2008. Technical success, complications, PAVM persistence rates, and category of persistence were analyzed. RESULTS: In 25 patients, 157 PAVMs were treated: 92 with MVP, 35 with AMPLATZER vascular plug (AVP), 6 with AVP plus coils, and 24 with coils. The per-PAVM technical success rates were 100% with MVP; 97%, AVP; 100%, AVP plus coils; and 100%, coils. PAVM persistence rates and median follow-up were as follows: MVP, 2% (1/92) (510 d); AVP, 15% (3/20) (1,447 d); AVP plus coils, 20% (1/5) (1,141 d); coils, 46.7% (7/15) (1,141 d). Persistence owing to recanalization for MVP, AVP, AVP plus coils, and coils was 2%, 15%, 0%, and 33%. No difference was found between persistence rates of MVP vs AVP (P = .098). Embolization with a vascular plug (MVP or AVP) with or without coils had a statistically significant lower persistence rate (5.4%) than embolization with coils alone (46.7%) (P = .022). CONCLUSIONS: PAVM embolization with MVP had a high technical success rate and a low persistence rate comparable to AVP and lower than coil embolization alone.

Pulmonary arteriovenous malformations.

Pulmonary arteriovenous malformation, a condition most commonly associated with hereditary hemorrhagic telangiectasia, is an abnormal communication between the pulmonary artery and pulmonary vein without an intervening capillary communication. Although asymptomatic in ~ 50% individuals, it can present with the dreaded complications of stroke or intracranial abscess in high-risk individuals including pregnant women, if untreated. The mainstay of treatment is now endovascular embolization of the feeding artery which can alleviate the symptoms and prevent these complications. In this review, we describe the pathophysiology, methods of screening, diagnostic workup and treatment of these vascular lesions with a particular focus on the currently used embolization techniques and their outcomes.

Pulmonary arteriovenous malformations: diagnosis.

Pulmonary arteriovenous malformations (PAVMs) are rare, abnormal low resistance vascular structures that connect a pulmonary artery to a pulmonary vein, thereby bypassing the normal pulmonary capillary bed and resulting in an intrapulmonary right-to-left shunt. The spectrum of PAVMs extends from microscopic lesions causing profound hypoxemia and ground glass appearance on computed tomography (CT) but with normal catheter angiographic findings to classic pulmonary aneurysmal connections that abnormally connect pulmonary veins and arteries. These malformations most commonly are seen in hereditary hemorrhagic telangiectasia (HHT). They are rarely due to secondary conditions such as post congenital heart disease surgery or hepatopulmonary syndrome (HPS). The main complications of PAVM result from intrapulmonary shunt and include stroke, brain abscess, and hypoxemia. Local pulmonary complications include PAVM rupture leading to life-threatening hemoptysis or hemothorax. The preferred screening test for PAVM is transthoracic contrast echocardiography (TTCE). CT has become the gold standard imaging test to establish the presence of PAVM. Endovascular occlusion of the feeding artery is the treatment of choice. Collateralization and recanalization of PAVM following treatment may occur, and hence long term clinical and imaging follow-up is required to assess PAVM enlargement and PAVM reperfusion.

Pulmonary arteriovenous malformations: endovascular therapy.

Pulmonary arteriovenous malformations (PAVM) are abnormal direct communications between the branches of pulmonary arteries and veins, and are often seen in patients with hereditary hemorrhagic telangiectasia (HHT). If untreated, the right to left shunt can result in symptoms of hypoxemia, paradoxical emboli to the left side circulation, stroke and intracranial abscess. Endovascular therapy is a minimally invasive outpatient based treatment wherein the feeding artery to the PAVM is occluded with coils or plugs or a combination of both and is associated with minimal morbidity and no mortality. In this manuscript, we will review the indications and contraindications for endovascular therapy, pre-procedural work up, procedure technique and variations, complications, and outcomes.

Pulmonary artery aneurysms: diagnosis & endovascular therapy.

Pulmonary artery aneurysms (PAAs) and pseudoaneurysms are rare entities in the spectrum of pulmonary arterial diseases. The etiology of these aneurysms is varied and patients present with nonspecific symptoms which make their diagnosis both difficult and less often considered. In this review, we will discuss the clinical manifestations, etiologies, methods of detection, imaging features, and the current role of endovascular treatment in the management of PAAs.

Topologically protected interface phonons in two-dimensional nanomaterials: hexagonal boron nitride and silicon carbide.

We perform both lattice dynamics analysis and molecular dynamics simulations to demonstrate the existence of topologically protected phonon modes in two-dimensional, monolayer hexagonal boron nitride and silicon carbide sheets. The topological phonon modes are found to be localized at an in-plane interface that divides these systems into two regions of distinct valley Chern numbers. The dispersion of this topological phonon mode crosses over the frequency gap, which is opened through analogy with the quantum valley Hall effect by breaking the inversion symmetry of the primitive unit cells. Consequently, vibrational energy with frequency within this gap is topologically protected, resulting in wave propagation that exhibits minimal backscattering, is robust with regard to structural defects such as sharp corners, and exhibits excellent temporal stability. Our findings open up the possibility of actuating and detecting topological phonons in two-dimensional nanomaterials.

Superplastic Creep of Metal Nanowires from Rate-Dependent Plasticity Transition.

Understanding the time-dependent mechanical behavior of nanomaterials such as nanowires is essential to predict their reliability in nanomechanical devices. This understanding is typically obtained using creep tests, which are the most fundamental loading mechanism by which the time-dependent deformation of materials is characterized. However, due to existing challenges facing both experimentalists and theorists, the time-dependent mechanical response of nanowires is not well-understood. Here, we use atomistic simulations that can access experimental time scales to examine the creep of single-crystal face-centered cubic metal (Cu, Ag, Pt) nanowires. We report that both Cu and Ag nanowires show significantly increased ductility and superplasticity under low creep stresses, where the superplasticity is driven by a rate-dependent transition in defect nucleation from twinning to trailing partial dislocations at the micro- or millisecond time scale. The transition in the deformation mechanism also governs a corresponding transition in the stress-dependent creep time at the microsecond (Ag) and millisecond (Cu) time scales. Overall, this work demonstrates the necessity of accessing time scales that far exceed those seen in conventional atomistic modeling for accurate insights into the time-dependent mechanical behavior and properties of nanomaterials.

Atomistic Simulation of the Rate-Dependent Ductile-to-Brittle Failure Transition in Bicrystalline Metal Nanowires.

The mechanical properties and plastic deformation mechanisms of metal nanowires have been studied intensely for many years. One of the important yet unresolved challenges in this field is to bridge the gap in properties and deformation mechanisms reported for slow strain rate experiments (∼10-2 s-1), and high strain rate molecular dynamics (MD) simulations (∼108 s-1) such that a complete understanding of strain rate effects on mechanical deformation and plasticity can be obtained. In this work, we use long time scale atomistic modeling based on potential energy surface exploration to elucidate the atomistic mechanisms governing a strain-rate-dependent incipient plasticity and yielding transition for face centered cubic (FCC) copper and silver nanowires. The transition occurs for both metals with both pristine and rough surfaces for all computationally accessible diameters (<10 nm). We find that the yield transition is induced by a transition in the incipient plastic event from Shockley partials nucleated on primary slip systems at MD strain rates to the nucleation of planar defects on non-Schmid slip planes at experimental strain rates, where multiple twin boundaries and planar stacking faults appear in copper and silver, respectively. Finally, we demonstrate that, at experimental strain rates, a ductile-to-brittle transition in failure mode similar to previous experimental studies on bicrystalline silver nanowires is observed, which is driven by differences in dislocation activity and grain boundary mobility as compared to the high strain rate case.

Intrinsic rippling enhances static non-reciprocity in a graphene metamaterial.

In mechanical systems, Maxwell-Betti reciprocity means that the displacement at point B in response to a force at point A is the same as the displacement at point A in response to the same force applied at point B. Because the notion of reciprocity is general, fundamental, and is operant for other physical systems like electromagnetics, acoustics, and optics, there is significant interest in understanding systems that are not reciprocal, or exhibit non-reciprocity. However, most studies on non-reciprocity have occurred in bulk-scale structures for dynamic problems involving time reversal symmetry. As a result, little is known about the mechanisms governing static non-reciprocal responses, particularly in atomically-thin two-dimensional materials like graphene. Here, we use classical atomistic simulations to demonstrate that out-of-plane ripples, which are intrinsic to graphene, enable significant, multiple orders of magnitude enhancements in the statically non-reciprocal response of graphene metamaterials. Specifically, we find that a striking interplay between the ripples and the stress fields that are induced in the metamaterials due to their geometry impacts the displacements that are transmitted by the metamaterial, thus leading to a significantly enhanced static non-reciprocal response. This study thus demonstrates the potential of two-dimensional mechanical metamaterials for symmetry-breaking applications.

Accelerated Search and Design of Stretchable Graphene Kirigami Using Machine Learning.

Making kirigami-inspired cuts into a sheet has been shown to be an effective way of designing stretchable materials with metamorphic properties where the 2D shape can transform into complex 3D shapes. However, finding the optimal solutions is not straightforward as the number of possible cutting patterns grows exponentially with system size. Here, we report on how machine learning (ML) can be used to approximate the target properties, such as yield stress and yield strain, as a function of cutting pattern. Our approach enables the rapid discovery of kirigami designs that yield extreme stretchability as verified by molecular dynamics (MD) simulations. We find that convolutional neural networks, commonly used for classification in vision tasks, can be applied for regression to achieve an accuracy close to the precision of the MD simulations. This approach can then be used to search for optimal designs that maximize elastic stretchability with only 1000 training samples in a large design space of ∼4×10^{6} candidate designs. This example demonstrates the power and potential of ML in finding optimal kirigami designs at a fraction of iterations that would be required of a purely MD or experiment-based approach, where no prior knowledge of the governing physics is known or available.

Self-cleaning by harnessing wrinkles in two-dimensional layered crystals.

Two-dimensional (2D) layered crystals are prone to bending and folding owing to their ultra-low bending stiffness. Folds are traditionally viewed as defects that degrade the material performance. Here, we demonstrate that folds and cohesive forces in 2D layered crystals like graphene and MoS2 can be exploited to collect and clean up interlayer impurities, wherein multiple separated impurities agglomerate into a single, large cluster. We combine classical molecular dynamics simulations and an analytical model to elucidate the competing roles of membrane bending and impurity-membrane cohesive energies in the self-cleaning process. Our findings shed light on the mechanisms by which the forces that are present in 2D layered crystals can positively impact, through the possibility of intrinsic cleaning and defect engineering, the synthesis of van der Waals homo- and heterostructures with improved reliability and functionalities.