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The rate at which a Brownian particle confined in a closed space escapes from the space by passing through a narrow passage is called the escape rate. The escape rate is relevant to many diffusion limited processes in polymer and colloidal systems, such as colloidal aggregation, polymerization reaction, polymer translocation through a membrane, etc. Here, we propose a variational principle to calculate the escape rate of complex molecules doing Brownian motion in a multi-dimensional phase space. We propose a regional minimization method in which we divide the whole phase space into regions, conduct the minimization for each region, and combine the results to get the minimum in the entire space. As an example, we discuss (1) the escape rate of a point particle that escapes from a confinement passing through a long corridor and (2) the escape rate of a rod-like particle that escapes through a small hole made in the wall of the confinement.

Recent experiments (Guan et al., Phys. Rev. Lett., vol. 116, issue 6, 2016a, p. 066102; Guan et al., Phys. Rev. E, vol. 94, issue 4, 2016b, p. 042802) showed many interesting phenomena on dynamic contact angle hysteresis while there is still a lack of complete theoretical interpretation. In this work, we study the time averaging of the apparent advancing and receding contact angles on surfaces with periodic chemical patterns. We first derive a new Cox-type boundary condition for the apparent dynamic contact angle on homogeneous surfaces using the Onsager variational principle. Based on this condition, we propose a reduced model for some typical moving contact line problems on chemically inhomogeneous surfaces in two dimensions. Multiscale expansion and averaging techniques are employed to approximate the model for asymptotically small chemical patterns. We obtain a quantitative formula for the averaged dynamic contact angles. It describes explicitly how the advancing and receding contact angles depend on the velocity and the chemical inhomogeneity of the substrate. The formula is a coarse-graining version of the Cox-type boundary condition on inhomogeneous surfaces. Numerical simulations are presented to validate the analytical results. The numerical results also show that the formula characterizes well the complicated behaviour of dynamic contact angle hysteresis observed in the experiments.

The protein kinase mechanistic target of rapamycin (mTOR) performs diverse cellular functions through 2 distinct multiprotein complexes, mTOR complex (mTORC)1 and 2. Numerous studies using rapamycin, an mTORC1 inhibitor, have implicated a role for mTORC1 in several types of heart disease. People with diabetes are more susceptible to heart failure. mTORC1 activity is increased in the diabetic heart, but its functional significance remains controversial. To investigate the role of mTORC1 in the diabetic heart, we crossed OVE26 type 1 diabetic mice with transgenic mice expressing a constitutively active mTOR (mTORca) or kinase-dead mTOR (mTORkd) in the heart. The expression of mTORca or mTORkd affected only mTORC1 but not mTORC2 activities, with corresponding changes in the activities of autophagy, a cellular degradation pathway negatively regulated by mTORC1. Diabetic cardiac damage in OVE26 mice was dramatically reduced by mTORca but exacerbated by mTORkd expression as assessed by changes in cardiac function, oxidative stress, and myocyte apoptosis. These findings demonstrated that the enhanced mTORC1 signaling in the OVE26 diabetic heart was an adaptive response that limited cardiac dysfunction, suggesting that manipulations that enhance mTORC1 activity may reduce diabetic cardiac injury, in sharp contrast to the results previously obtained with rapamycin.-Xu, X., Kobayashi, S., Timm, D., Huang, Y., Zhao, F., Shou, W., Liang, Q. Enhanced mTOR complex 1 signaling attenuates diabetic cardiac injury in OVE26 mice.

We study theoretically the self-propulsion dynamics of a small droplet on general curved surfaces by a variational approach. A new reduced model is derived based on careful computations for the capillary energy and the viscous dissipation in the system. The model describes quantitatively the spontaneous motion of a liquid droplet on general surfaces. In particular, it recovers previous models for droplet motion on the outside surface of a cone. In this case, we derive a scaling law of the displacement $s\sim t^{1/3}$ of a droplet with respect to time $t$ by asymptotic analysis. Theoretical results are in good agreement with experiments in previous literature without adjusting the friction coefficient in the model., Comment: 30 pages,15 figures

The paper studies an Allen–Cahn-type equation defined on a time-dependent surface as a model of phase separation with order–disorder transition in a thin material layer. By a formal inner–outer expansion, it is shown that the limiting behavior of the solution is a geodesic mean curvature type flow in reference coordinates. A geometrically unfitted finite element method, known as a trace FEM, is considered for the numerical solution of the equation. The paper provides full stability analysis and convergence analysis that accounts for interpolation errors and an approximate recovery of the geometry.

Source codes to simulate a sliding gel film on a moving substrate. The results are included in the paper ``Debonding waves in gel thin films".

A dynamic wetting problem is studied for a moving thin fiber inserted in fluid and with a chemically inhomogeneous surface. A reduced model is derived for contact angle hysteresis by using the Onsager principle as an approximation tool. The model is simple and captures the essential dynamics of the contact angle. From this model, we derive an upper bound of the advancing contact angle and a lower bound of the receding angle, which are verified by numerical simulations. The results are consistent with the quasi-static results. The model can also be used to understand the asymmetric dependence of the advancing and receding contact angles on the fiber velocity, which was observed recently in the physical experiments reported in the work of Guan et al. [“Asymmetric and speed-dependent capillary force hysteresis and relaxation of a suddenly stopped moving contact line,” Phys. Rev. Lett. 116, 066102 (2016)].

Thalassemia is one of the most common hereditary blood disorders. Epidemiological data regarding the occurrence and distribution of thalassemia is important for designing appropriate prevention strategies. The objective of this study was to update and reveal the prevalence of thalassemia and mutation spectrum in the Baise region of southern China. We screened 47,500 individuals from Baise region by hematological and genetic analysis. Totally, 11,432 (24.07%) subjects were diagnosed as being carriers and patients of thalassemia, including 7290 (15.35%) subjects with α-thalassemia, 3152 (6.64%) subjects with β-thalassemia and 990 (2.08%) subjects with both α-thalassemia and β-thalassemia. Ten α-thalassemia mutations and 31 genotypes were identified in the α-thalassemia carriers and patients. Meanwhile, 13 β-thalassemia mutations and 26 genotypes were characterized in the β-thalassemia carriers and patients. Furthermore, the true prevalence of nondeletional mutations and Thailand type (-THAI) deletion mutation were first reported in this study. In addition, three cases of αα/ααα3.7, five cases of HKαα/αα and two rare β-globin mutations, -86 (G>C) and CD 121 (G>T) were first identified in the Chinese Zhuang ethnic populations. Our data indicated that there was great heterogeneity and extensive spectrum of thalassemias in the Baise populations. The findings will be useful for genetic counseling and prevention of severe thalassemia in this region.

It is proved that if \(\phi \) is a finite Blaschke product with four zeros, then \(M_\phi \) is reducible on the Dirichlet space with norm \(\Vert \ \Vert \) if and only if \(\phi =\phi _1\circ \phi _2\), where \(\phi _1, \phi _2\) are Blaschke products and \(\phi _2\) is equivalent to \(z^2\). Also, the same reducibility of \(M_\phi \) with finite Blaschke product \(\phi \) on the Dirichlet space under the equivalent norms \(\Vert \ \Vert _1\) and \(\Vert \ \Vert _0\) is given.

The threshold dynamics method developed by Merriman, Bence and Osher (MBO) is an efficient method for simulating the motion by mean curvature flow when the interface is away from the solid boundary. Direct generalization of MBO-type methods to the wetting problem with interfaces intersecting the solid boundary is not easy because solving the heat equation in a general domain with a wetting boundary condition is not as efficient as it is with the original MBO method. The dynamics of the contact point also follows a different law compared with the dynamics of the interface away from the boundary. In this paper, we develop an efficient volume preserving threshold dynamics method for simulating wetting on rough surfaces. This method is based on minimization of the weighted surface area functional over an extended domain that includes the solid phase. The method is simple, stable with O ( N log ź N ) complexity per time step and is not sensitive to the inhomogeneity or roughness of the solid boundary.

We study the interface dynamics and contact angle hysteresis in a two dimensional, chemically patterned channel described by the Cahn-Hilliard equation with a relaxation boundary condition. A system for the dynamics of the contact angle and contact point is derived in the sharp interface limit. We then analyze the behavior of the solution using the phase plane analysis. We observe the stick-slip of the contact point and the contact angle hysteresis. As the size of the pattern decreases to zero, the stick-slip becomes weaker but the hysteresis becomes stronger in the sense that one observes either the advancing contact angle or the receding contact angle without any switching in between. Numerical examples are presented to verify our analysis.

In this paper, we propose an approach for solving PDEs on evolving surfaces using a combination of the trace finite element method and a fast marching method. The numerical approach is based on the Eulerian description of the surface problem and employs a time-independent background mesh that is not fitted to the surface. The surface and its evolution may be given implicitly, for example, by the level set method. Extension of the PDE off the surface is not required. The method introduced in this paper naturally allows a surface to undergo topological changes and experience local geometric singularities. In the simplest setting, the numerical method is second order accurate in space and time. Higher order variants are feasible, but not studied in this paper. We show results of several numerical experiments, which demonstrate the convergence properties of the method and its ability to handle the case of the surface with topological changes.

Summary In this paper we present a finite element method (FEM) for two-phase incompressible flows with moving contact lines. We use a sharp interface Navier-Stokes model for the bulk phase fluid dynamics. Surface tension forces, including Marangoni forces and viscous interfacial effects, are modeled. For describing the moving contact lines we consider a class of continuum models which contains several special cases known from the literature. For the whole model, describing bulk fluid dynamics, surface tension forces and contact line forces, we derive a variational formulation and a corresponding energy estimate. For handling the evolving interface numerically the level-set technique is applied. The discontinuous pressure is accurately approximated by using a stabilized extended finite element space (XFEM). We apply a Nitsche technique to weakly impose the Navier slip conditions on the solid wall. A unified approach for discretization of the (different types of) surface tension forces and contact line forces is introduced. Results of numerical experiments are presented which illustrate the performance of the solver. This article is protected by copyright. All rights reserved.

In 1931, Onsager proposed a variational principle which has become the base of many kinetic equations for non-equilibrium systems. We have been showing that this principle is useful in obtaining approximate solutions for the kinetic equations, but our previous method has a weakness that it can be justified, strictly speaking, only for small incremental time. Here we propose an improved method which does not have this drawback. The new method utilizes the integral proposed by Onsager and Machlup in 1953, and can tell us which of the approximate solutions is the best solution without knowing the exact solution. The new method has an advantage that it allows us to determine the steady state in non-equilibrium system by a variational calculus. We demonstrate this using three examples, (a) simple diffusion problem, (b) capillary problem in a tube with corners, and (c) free boundary problem in liquid coating, for which the kinetic equations are written in second or fourth order partial differential equations., 25 pages, 7 figures, submitted to Phys. Rev. E

We present a numerical implementation of a model for void coalescence and fracture in nonlinear elasticity. The model is similar to the Ambrosio–Tortorelli regularization of the standard free-discontinuity variational model for quasistatic brittle fracture. The main change is the introduction of a nonlinear polyconvex energy that allows for cavitation. This change requires new analytic and numerical techniques. We propose a numerical method based on alternating directional minimization and a stabilized Crouzeix–Raviart finite element discretization. The method is used in several experiments, including void coalescence, void creation under tensile stress, failure in perfect materials and in materials with hard inclusions. The experimental results show the ability of the model and the numerical method to study different failure mechanisms in rubber-like materials.

We develop a new multiscale finite element method for the Laplace equation with oscillating Neumann boundary conditions on rough boundaries. The key point is the introduction of a new boundary condition that incorporates both the microscopically geometrical and physical information of the rough boundary. Our approach applies to problems posed on a domain with a rough boundary as well as oscillating boundary conditions. We prove the method has a linear convergence rate in the energy norm with a weak resonance term for periodic roughness. Numerical results are reported for both periodic and nonperiodic roughness.

We calculate the shape and the velocity of a bubble rising in an infinitely large and closed Hele–Shaw cell using Park and Homsy’s boundary condition, which accounts for the change of the three dimensional structure in the perimeter zone. We first formulate the problem in the form of a variational problem and discuss the shape change assuming that the bubble takes an elliptic shape. We calculate the shape and the velocity of the bubble as a function of the bubble size, the gap distance, and the inclination angle of the cell. We show that the bubble is flattened as it rises. This result is in agreement with experiments for large Hele–Shaw cells.