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Simulations uncover a new spontaneous and gradient-free droplet transport mechanism that can be controlled by varying wettability or solid's anisotropy. 

We present the method of direct van der Waals simulation (DVS) to study computationally flows with liquid-vapor phase transformations. Our approach is based on a discretization of the Navier-Stokes-Korteweg equations, which couple flow dynamics with van der Waals’ nonequilibrium thermodynamic theory of phase transformations, and opens an opportunity for first-principles simulation of a wide range of boiling and cavitating flows. The proposed algorithm enables unprecedented simulations of the Navier-Stokes-Korteweg equations involving cavitating flows at strongly under-critical conditions and 𝒪(10⁵) Reynolds number. The proposed technique provides a pathway for a fundamental understanding of phase-transforming flows with multiple applications in science, engineering, and medicine. 

Abstract Reliable and controllable growth of two-dimensional (2D) hexagonal boron nitride (h-BN) is essential for its wide range of applications. Substrate engineering is one of the critical factors that influence the growth of the epitaxial h-BN films. Here, we report the growth of monolayer h-BN on Ni (111) substrates incorporated with oxygen atoms via molecular beam epitaxy. It was found that the increase of incorporated oxygen concentration in the Ni substrate through a pretreatment process prior to the h-BN growth step would have an adverse effect on the morphology and growth rate of 2D h-BN. Under the same growth condition, h-BN monolayer coverage decreases exponentially as the amount of oxygen incorporated into Ni (111) increases. Density functional theory calculations and climbing image nudged elastic band (CI-NEB) method reveal that the substitutional oxygen atoms can increase the diffusion energy barrier of B and N atoms on Ni (111) thereby inhibiting the growth of h-BN films. As-grown large-area h-BN monolayer films and fabricated Al/h-BN/Ni (MIM) nanodevices were comprehensively characterized to evaluate the structural, optical and electrical properties of high-quality monolayers. Direct tunneling mechanism and high breakdown strength of ∼11.2 MV cm⁻¹are demonstrated for the h-BN monolayers grown on oxygen-incorporated Ni (111) substrates, indicating that these films have high quality. This study provides a unique example that heterogeneous catalysis principles can be applied to the epitaxy of 2D crystals in solid state field. Similar strategies can be used to grow other 2D crystalline materials, and are expected to facilitate the development of next generation devices based on 2D crystals. 

While theoretical estimates suggest that cavitation of water should occur when pressure falls much below −25 MPa at room temperature, in experiments, we commonly observe conversion to vapor at pressures of the order of 3 kPa. The commonly accepted explanation for this discrepancy is that water usually contains nanometer-sized cavitation nuclei. When the pressure decreases, these nuclei expand and become visible to the naked eye. However, the origin of these cavitation nuclei is not well understood. An earlier work in this field has mainly focused on the inception of nuclei which are purely composed of water vapor, whereas experimental data suggest that these nuclei are mainly composed of air. In this Letter, we develop a theoretical approach to study the inception of cavitation nuclei in water with uniformly dissolved air, using a diffuse interface approach. We derive equations which govern the transition of water with uniformly dissolved air to a critical state. Our results show that the dissolved air decreases the free energy barrier from the initial to the critical state, thereby aiding the formation of cavitation nuclei. This study opens up possibilities to explore cavitation inception in fluids containing dissolved gases. 

Abstract The molecular signaling pathways that orchestrate angiogenesis have been widely studied, but the role of biophysical cues has received less attention. Interstitial flow is unavoidable in vivo, and has been shown to dramatically change the neovascular patterns, but the mechanisms by which flow regulates angiogenesis remain poorly understood. Here, we study the complex interactions between interstitial flow and the affinity for matrix binding of different chemokine isoforms. Using a computational model, we find that changing the matrix affinity of the chemokine isoform can invert the effect of interstitial flow on angiogenesis—from preferential growth in the direction of the flow when the chemokine is initially matrix-bound to preferential flow against the flow when it is unbound. Although fluid forces signal endothelial cells directly, our data suggests a mechanism for the inversion based on biotransport arguments only, and offers a potential explanation for experimental results in which interstitial flow produced preferential vessel growth with and against the flow. Our results point to a particularly intricate effect of interstitial flow on angiogenesis in the tumor microenvironment, where the vessel network geometry and the interstitial flow patterns are complex. 

Abstract We study the collapse and expansion of a cavitation bubble in a deformable porous medium. We develop a continuum-scale model that couples compressible fluid flow in the pore network with the elastic response of a solid skeleton. Under the assumption of spherical symmetry, our model can be reduced to an ordinary differential equation that extends the Rayleigh–Plesset equation to bubbles in soft porous media. The extended Rayleigh–Plesset equation reveals that finite-size effects lead to the breakdown of the universal scaling relation between bubble radius and time that holds in the infinite-size limit. Our data indicate that the deformability of the porous medium slows down the collapse and expansion processes, a result with important consequences for wide-ranging phenomena, from drug delivery to spore dispersion.