A computational framework for the morpho-elastic development of molluskan shells by surface and volume growth

Mollusk shells are an ideal model system for understanding the morpho-elastic basis of morphological evolution of invertebrates' exoskeletons. During the formation of the shell, the mantle tissue secretes proteins and minerals that calcify to form a new incremental layer of the exoskeleton. Most of the existing literature on the morphology of mollusks is descriptive. The mathematical understanding of the underlying coupling between pre-existing shell morphology, de novo surface deposition and morpho-elastic volume growth is at a nascent stage, primarily limited to reduced geometric representations. Here, we propose a general, three-dimensional computational framework coupling pre-existing morphology, incremental surface growth by accretion, and morpho-elastic volume growth. We exercise this framework by applying it to explain the stepwise morphogenesis of seashells during growth: new material surfaces are laid down by accretive growth on the mantle whose form is determined by its morpho-elastic growth. Calcification of the newest surfaces extends the shell as well as creates a new scaffold that constrains the next growth step. We study the effects of surface and volumetric growth rates, and of previously deposited shell geometries on the resulting modes of mantle deformation, and therefore of the developing shell's morphology. Connections are made to a range of complex shells ornamentations.Comment: Main article is 20 pages long with 15 figures. Supplementary material is 4 pages long with 6 figures and 6 attached movies. To be published in PLOS Computational Biolog

Elastic free energy drives the shape of prevascular solid tumors

It is well established that the mechanical environment influences cell functions in health and disease. Here, we address how the mechanical environment influences tumor growth, in particular, the shape of solid tumors. In an in vitro tumor model, which isolates mechanical interactions between tumor cells and a hydrogel, we find that tumors grow as ellipsoids, resembling the same, oft-reported observation of in vivo tumors. Specifically, an oblate ellipsoidal tumor shape robustly occurs when the tumors grow in hydrogels that are stiffer than the tumors, but when they grow in more compliant hydrogels they remain closer to spherical in shape. Using large scale, nonlinear elasticity computations we show that the oblate ellipsoidal shape minimizes the elastic free energy of the tumor-hydrogel system. Having eliminated a number of other candidate explanations, we hypothesize that minimization of the elastic free energy is the reason for predominance of the experimentally observed ellipsoidal shape. This result may hold significance for explaining the shape progression of early solid tumors in vivo and is an important step in understanding the processes underlying solid tumor growth.Comment: Six figures in main text. Supporting Information with 6 additional figure

A Numerical Investigation of Dimensionless Numbers Characterizing Meltpool Morphology of the Laser Powder Bed Fusion Process

Microstructure evolution in metal additive manufacturing (AM) is a complex multi-physics and multi-scale problem. Understanding the impact of AM process conditions on the microstructure evolution and the resulting mechanical properties of the printed component remains an active area of research. At the meltpool scale, the thermo-fluidic governing equations have been extensively modeled in the literature to understand the meltpool conditions and the thermal gradients in its vicinity. In many phenomena governed by partial differential equations, dimensional analysis and identification of important dimensionless numbers can provide significant insights into the process dynamics. In this context, we present a novel strategy using dimensional analysis and the linear least-squares regression method to numerically investigate the thermo-fluidic governing equations of the Laser Powder Bed Fusion AM process. First, the governing equations are solved using the Finite Element Method, and the model predictions are validated by comparing with experimentally estimated cooling rates, and with numerical results from the literature. Then, through dimensional analysis, an important dimensionless quantity interpreted as a measure of heat absorbed by the powdered material and the meltpool, is identified. This dimensionless measure of absorbed heat, along with classical dimensionless quantities such as Péclet, Marangoni, and Stefan numbers, are employed to investigate advective transport in the meltpool for different alloys. Further, the framework is used to study variations in the thermal gradients and the solidification cooling rate. Important correlations linking meltpool morphology and microstructure-evolution-related variables with classical dimensionless numbers are the key contribution of this work

Biomembranes undergo complex, non-axisymmetric deformations governed by Kirchhoff-Love kinematics and revealed by a three dimensional computational framework

Biomembranes play a central role in various phenomena like locomotion of cells, cell-cell interactions, packaging of nutrients, and in maintaining organelle morphology and functionality. During these processes, the membranes undergo significant morphological changes through deformation, scission, and fusion. Modeling the underlying mechanics of such morphological changes has traditionally relied on reduced order axisymmetric representations of membrane geometry and deformation. Axisymmetric representations, while robust and extensively deployed, suffer from their inability to model symmetry breaking deformations and structural bifurcations. To address this limitation, a 3D computational mechanics framework for high fidelity modeling of biomembrane deformation is presented. The proposed framework brings together Kirchhoff-Love thin-shell kinematics, Helfrich-energy based mechanics, and state-of-the-art numerical techniques for modeling deformation of surface geometries. Lipid bilayers are represented as spline-based surfaces immersed in a 3D space; this enables modeling of a wide spectrum of membrane geometries, boundary conditions, and deformations that are physically admissible in a 3D space. The mathematical basis of the framework and its numerical machinery are presented, and their utility is demonstrated by modeling 3 classical, yet non-trivial, membrane problems: formation of tubular shapes and their lateral constriction, Piezo1-induced membrane footprint generation and gating response, and the budding of membranes by protein coats during endocytosis. For each problem, the full 3D membrane deformation is captured, potential symmetry-breaking deformation paths identified, and various case studies of boundary and load conditions are presented. Using the endocytic vesicle budding as a case study, we also present a "phase diagram" for its symmetric and broken-symmetry states

Elastic Free Energy Drives the Shape of Prevascular Solid Tumors

<div><p>It is well established that the mechanical environment influences cell functions in health and disease. Here, we address how the mechanical environment influences tumor growth, in particular, the shape of solid tumors. In an <i>in vitro</i> tumor model, which isolates mechanical interactions between cancer tumor cells and a hydrogel, we find that tumors grow as ellipsoids, resembling the same, oft-reported observation of <i>in vivo</i> tumors. Specifically, an oblate ellipsoidal tumor shape robustly occurs when the tumors grow in hydrogels that are stiffer than the tumors, but when they grow in more compliant hydrogels they remain closer to spherical in shape. Using large scale, nonlinear elasticity computations we show that the oblate ellipsoidal shape minimizes the elastic free energy of the tumor-hydrogel system. Having eliminated a number of other candidate explanations, we hypothesize that minimization of the elastic free energy is the reason for predominance of the experimentally observed ellipsoidal shape. This result may hold significance for explaining the shape progression of early solid tumors <i>in vivo</i> and is an important step in understanding the processes underlying solid tumor growth.</p></div