Samuel J. Avis’s research while affiliated with Durham University and other places

We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N+1-component phase field models to investigate interface shapes and flow dynamics of N fluid components, and we optimize how to constrain the evolution of the component employed as the solid phase to conform to any pre-defined geometry. Implementations for phase field energy minimization and lattice Boltzmann method are presented. Our approach does not need special treatment for the fluid–solid wetting boundary condition, which makes it simple to implement. To demonstrate its broad applicability, we employ the diffuse solid method to explore wide-ranging examples, including droplet contact angle on a flat surface, particle adsorption on a fluid–fluid interface, critical pressure on micropillars and on Salvinia leaf structures, capillary rise against gravity, Lucas-Washburn's law for capillary filling, and droplet motion on a sinusoidally undulated surface. Our proposed approach can be beneficial to computationally study multiphase fluid interactions with textured solid surfaces that are ubiquitous in nature and engineering applications.

We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow dynamics of N fluid components, and we optimize how to constrain the evolution of the component employed as the solid phase to conform to any pre-defined geometry. Implementations for phase field energy minimization and lattice Boltzmann method are presented. Our approach does not need special treatment for the fluid-solid wetting boundary condition, which makes it simple to implement. To demonstrate its broad applicability, we employ the diffuse solid method to explore wide-ranging examples, including droplet contact angle on a flat surface, particle adsorption on a fluid-fluid interface, critical pressure on micropillars and on Salvinia leaf structures, capillary rise against gravity, Lucas-Washburn's law for capillary filling, and droplet motion on a sinusoidally undulated surface. Our proposed approach can be beneficial to computationally study multiphase fluid interactions with textured solid surfaces that are ubiquitous in nature and engineering applications.

OpenLB is an object-oriented implementation of LBM. It is the first implementation of a generic platform for LBM programming, which is shared with the open source community (GPLv2). Since the first release in 2007, the code has been continuously improved and extended which is documented by thirteen releases as well as the corresponding release notes which are available on the OpenLB website (https://www.openlb.net). The OpenLB code is written in C++ and is used by application programmers as well as developers, with the ability to implement custom models OpenLB supports complex data structures that allow simulations in complex geometries and parallel execution using MPI, OpenMP and CUDA on high-performance computers. The source code uses the concepts of interfaces and templates, so that efficient, direct and intuitive implementations of the LBM become possible. The efficiency and scalability has been checked and proved by code reviews. This user manual and a source code documentation by DoxyGen are available on the OpenLB project website.

The OpenLB project provides a C++ package for the implementation of lattice Boltzmann methods (LBM) that is general enough to address a vast range of transport problems, e.g. in computational fluid dynamics. The source code is publicly available and constructed in a well readable, modular way. This enables for a fast implementation of both academic test problems and advanced engineering applications. It is also easily extensible to include new physical models. Major new features include new performance-optimized and GPU-enabled multi-lattice coupling as well as a new subgrid-scale particle system. See https://www.openlb.net/news/openlb-release-1-6-available-for-download/ for the full release notes.

We use free energy lattice Boltzmann methods to simulate shear and extensional flows of a binary fluid in two and three dimensions. To this end, two classical configurations are digitally twinned, namely a parallel-band device for binary shear flow and a four-roller apparatus for binary extensional flow. The free energy lattice Boltzmann method and the test cases are implemented in the open-source parallel C++ framework OpenLB and evaluated for several non-dimensional numbers. Characteristic deformations are captured, where breakup mechanisms occur for critical capillary regimes. Though the known mass leakage for small droplet-domain ratios and large Cahn numbers is observed, suitable mesh sizes show good agreement to analytical predictions and reference results.

We use free energy lattice Boltzmann methods (FRE LBM) to simulate shear and extensional flow of a binary mixture in two and three dimensions. To this end, two classical configurations are digitally twinned, namely a parallel-band device for binary shear flow and a four-roller apparatus for binary extensional flow. The FRE LBM and the test cases are implemented in the open-source C++ framework OpenLB and evaluated for several non-dimensional numbers. Characteristic deformations are captured, where breakup mechanisms occur for critical capillary regimes. Though the known mass leakage for small droplet-domain ratios is observed, suitable mesh sizes show good agreement to analytical predictions and reference results.

Locating transition states is crucial for investigating transition mechanisms in wide-ranging phenomena, from atomistic to macroscale systems. Existing methods, however, can struggle in problems with a large number of degrees of freedom, on-the-fly adaptive remeshing and coarse-graining, and energy landscapes that are locally flat or discontinuous. To resolve these challenges, we introduce a new double-ended method, the Binary-Image Transition State Search (BITSS). It uses just two states that converge to the transition state, resulting in a fast, flexible, and memory-efficient method. We also show it is more robust compared to existing bracketing methods that use only two states. We demonstrate its versatility by applying BITSS to three very different classes of problems: Lennard-Jones clusters, shell buckling, and multiphase phase-field models.

Major new features include support for GPUs using CUDA, vectorized collision steps on SIMD CPUs, a new implementation of our resolved particle system as well as the possibility of simulating free surface flows and reactions. See https://www.openlb.net/news/openlb-release-1-5-available-for-download/ for the full release notes.

Origami-inspired multistable structures are gaining increasing interest because of their potential applications in fields ranging from deployable structures to reconfigurable microelectronics. The multistability of such structures is critical for their applications but is challenging to manipulate due to the highly nonlinear deformations and complex configurations of the structures. Here, a comprehensive experimental and computational study is reported to tailor the multistable states of origami-inspired, buckled ferromagnetic structures and their reconfiguration paths. Using ribbon structures as an example, a design phase diagram is constructed as a function of the crease number and compressive strain. As the crease number increases from 0 to 7, the number of distinct stable states first increases and then decreases. The multistability is also shown to be actively tuned by varying the strain from 0% to 40%. Furthermore, analyzing energy barriers for reconfiguration among the stable states reveals dynamic changes in reconfiguration paths with increasing strains. Guided by studies above, diverse examples are designed and demonstrated, from programmable structure arrays to a soft robot. These studies lay out the foundation for the rational design of functional, multistable structures.