Abstract Future optical materials promise to do for photonics what semiconductors did electronics, but the challenge has long been in creating structure they require—a regular, three-dimensional array of transparent microspheres arranged like atoms a diamond crystal. Here we demonstrate simple approach spontaneously growing double-diamond (or B32) crystals that contain suitable structure, using DNA direct self-assembly process. While symmetry have grown from much smaller nanoparticles, none...

A model is presented and analyzed for the dynamics of intrinsic point defects, vacancies, self‐interstitials, in single‐crystal silicon. Computations asymptotic analysis are used to describe appearance oxidation‐induced stacking‐fault ring (OSF ring) created during cooling silicon crystals Czochralski growth process. The predicts that OSF separates an inner region supersaturated with vacancies from a self‐interstitial rich outer region. corresponds no net excess either defect. Simulations...

Nanoparticles with grafted layers of ligand molecules behave as soft colloids when they adsorb at fluid-fluid interfaces. The brush can deform and reconfigure, adopting a lens-shaped configuration the interface. This behavior strongly affects interactions between nanoparticles interfaces, which have proven challenging to probe experimentally. We measure surface pressure for stable 2D interfacial suspension ligands, extract interaction potential from these data by comparison Brownian dynamics...

The use of grafted, single-stranded DNA oligomer brushes with engineered sequences to effect tunable interactions between colloidal particles has now been demonstrated experimentally in both nano- and microscale systems. versatility this technology is highly appealing for realizing self-assembly complex structures. However, ambiguities remain regarding how operating conditions, such as the rate at which system temperature reduced, interact other parameters produce crystalline assemblies...

Modeling thrombus growth in pathological flows allows evaluation of risk under patient-specific pharmacological, hematological, and hemodynamical conditions. We have developed a 3D multiscale framework for the prediction flow on spatially resolved surface presenting collagen tissue factor (TF). The is composed four coupled modules: Neural Network (NN) that accounts platelet signaling, Lattice Kinetic Monte Carlo (LKMC) simulation tracking positions, Finite Volume Method (FVM) simulator...

Transient bridges of DNA have been used to direct the self assembly microscopic spherical particles into a variety crystal structures. Here, by selectively reprogramming strength interactions within such crystals we form colloidal clusters with well-defined valence and symmetry at high yield. We first 'host' containing small proportion 'impurity' bearing unique sequence, then add soluble strands that cause host melt while preserving nearest neighbor bonds around each impurity particle. This...

Significance The use of single-stranded DNA oligomers grafted onto submicron particles to drive interparticle interactions is a versatile technique for assembly. Although progress has been made in the attainable structural complexity, whether these assemblies are kinetically arrested or dynamically reconfigurable materials not well understood. Here, we study mechanism responsible recently observed diffusionless transformations DNA-assembled colloidal crystallites. We discover that...

Recent experimental studies have demonstrated a facile route for fabricating large numbers of geometrically uniform colloidal clusters out submicron DNA-functionalized spheres. These are ideally suited use as anisotropic building blocks hierarchical assembly superstructures with symmetries that otherwise inaccessible simple spherical particles. We study computationally the self-assembly cubic, tetrahedral, and octahedral mediated by "bond spheres" dock at specific preferential sites,...

An internally consistent model is presented for the dynamic formation of microdefects in single‐crystal silicon. The built on dynamics point defects, vacancies and self‐interstitials, extended to include growth clusters these defects into microdefects. A hybrid finite‐element/finite‐difference numerical method used solve coupled system partial differential equations, which includes sets discrete rate equations small Fokker‐Planck larger ones. As described previously by a defect [J....

Transient bridges of DNA have been used to direct the self-assembly colloidal particles into interesting soft materials, but particle binding kinetics are often slow or anomalous. Using line optical tweezers, we quantify dynamics two DNA-coated microspheres as a function density and strength DNA-induced pair interaction potential. At high density, is limited by rate microsphere diffusion displays expected dependence on potential energy. low set single molecular events exhibits bound times...

Spherical colloids covered with grafted DNA have been used in the directed self-assembly of a number distinct crystal and gel structures. Simulation suggests that use anisotropic building blocks greatly augments variety potential colloidal assemblies can be formed. Here, we form five symmetries clusters from DNA-functionalized spheres using single type as template. The crystals are formed by simple sedimentation binary mixture containing majority "host" species forms close-packed minority...

Abstract When formed in vivo, murine hemostatic thrombi exhibit a heterogeneous architecture comprised of distinct regions densely and sparsely packed platelets. In this study, we utilize high-resolution electron microscopy alongside machine learning physics-based simulations to investigate how such clot microstructure impacts molecular diffusivity. We used Serial Block Face – Scanning Electron Microscopy (SBF-SEM) image select volumes masses mouse jugular vein, producing large stacks 2D...

Coagulation kinetics are well established for purified blood proteases or human plasma clotting isotropically. However, less is known about thrombin generation and transport within clots formed under hemodynamic flow. Using microfluidic perfusion (wall shear rate, 200 s−1) of corn trypsin inhibitor-treated whole over a 250-μm long patch type I fibrillar collagen/lipidated tissue factor (TF; ∼1 TF molecule/μm2), we measured released from using thrombin-antithrombin immunoassay. The majority...

The segregation behavior of carbon and oxygen atoms at various silicon grain boundaries was studied using a combination atomistic simulation analytical modeling. First, quasi-lattice Grand Canonical Monte Carlo simulations were used to compute isotherms as function boundary type, impurity atom loading level, temperature. Next, the results employed regress different models extract thermodynamic structural properties. multilayer Brunauer–Emmett–Teller (BET) isotherm found quantitatively...

The thermal stability of GaAsSb/InP is known to be compromised by group-V volatility and intermixing at the heterojunction that adversely impact performance subsequently fabricated optoelectronic or high-speed devices. We interrogate interface trace its degradation during extended annealing, where we observe significant nanostructure formation. Scanning transmission electron microscopy reveals formation pyramidal nanostructures extend from epitaxial layer into substrate. Energy-dispersive...

During thrombosis, platelets rapidly deposit and activate on the vessel wall, driving conditions such as myocardial infarction stroke. The complexity of thrombus formation in pathological flow geometries, along with patient-specific pharmacological responses, presents an opportunity for computational modeling to help deliver novel diagnostic therapeutic insights. In present study, we employed a multiscale 3D model that incorporates unique donor-derived neural networks (NNs) trained platelet...

The Stillinger–Weber interatomic potential is used in molecular dynamics simulations to compute estimates of the equilibrium and transport properties self-interstitials vacancies crystalline silicon at high temperature. Equilibrium configurations are predicted as a 〈110〉 dumbbell for self-interstitial, an inwardly relaxed configuration vacancy. Both structures show considerable delocalization with increasing temperature, which leads strong temperature dependence entropy formation, suggested...

The internal configurational entropy of point defect clusters in crystalline silicon is studied detail by analyzing their potential energy landscapes. Both on-lattice and off-lattice calculation approaches are employed to demonstrate the importance states that arise due a large number inherent structures (local minima) landscape generated interatomic function. resulting cluster formation shown exhibit behavior qualitatively similar observed supercooled liquids amorphous solids substantially...