Aaditya Chandrasekhar

Aaditya Chandrasekhar, Amir Mirzendehdel, Morad Behandish et al.

In this paper, we present a topology optimization (TO) framework to simultaneously optimize the matrix topology and fiber distribution of functionally graded continuous fiber-reinforced composites (FRC). Current approaches in density-based TO for FRC use the underlying finite element mesh both for analysis and design representation. This poses several limitations while enforcing sub-element fiber spacing and generating high-resolution continuous fibers. In contrast, we propose a mesh-independent representation based on a neural network (NN) both to capture the matrix topology and fiber distribution. The implicit NN-based representation enables geometric and material queries at a higher resolution than a mesh discretization. This leads to the accurate extraction of functionally-graded continuous fibers. Further, by integrating the finite element simulations into the NN computational framework, we can leverage automatic differentiation for end-to-end automated sensitivity analysis, i.e., we no longer need to manually derive cumbersome sensitivity expressions. We demonstrate the effectiveness and computational efficiency of the proposed method through several numerical examples involving various objective functions. We also show that the optimized continuous fiber reinforced composites can be directly fabricated at high resolution using additive manufacturing.

Saketh Sridhara, Aaditya Chandrasekhar, Krishnan Suresh

Microstructures, i.e., architected materials, are designed today, typically, by maximizing an objective, such as bulk modulus, subject to a volume constraint. However, in many applications, it is often more appropriate to impose constraints on other physical quantities of interest. In this paper, we consider such generalized microstructural optimization problems where any of the microstructural quantities, namely, bulk, shear, Poisson ratio, or volume, can serve as the objective, while the remaining can serve as constraints. In particular, we propose here a neural-network (NN) framework to solve such problems. The framework relies on the classic density formulation of microstructural optimization, but the density field is represented through the NN's weights and biases. The main characteristics of the proposed NN framework are: (1) it supports automatic differentiation, eliminating the need for manual sensitivity derivations, (2) smoothing filters are not required due to implicit filtering, (3) the framework can be easily extended to multiple-materials, and (4) a high-resolution microstructural topology can be recovered through a simple post-processing step. The framework is illustrated through a variety of microstructural optimization problems.

Aaditya Chandrasekhar, Saketh Sridhara, Krishnan Suresh

Multiscale topology optimization (M-TO) entails generating an optimal global topology, and an optimal set of microstructures at a smaller scale, for a physics-constrained problem. With the advent of additive manufacturing, M-TO has gained significant prominence. However, generating optimal microstructures at various locations can be computationally very expensive. As an alternate, graded multiscale topology optimization (GM-TO) has been proposed where one or more pre-selected and graded (parameterized) microstructural topologies are used to fill the domain optimally. This leads to a significant reduction in computation while retaining many of the benefits of M-TO. A successful GM-TO framework must: (1) be capable of efficiently handling numerous pre-selected microstructures, (2) be able to continuously switch between these microstructures during optimization, (3) ensure that the partition of unity is satisfied, and (4) discourage microstructure mixing at termination. In this paper, we propose to meet these requirements by exploiting the unique classification capacity of neural networks. Specifically, we propose a graded multiscale topology optimization using neural-network (GM-TOuNN) framework with the following features: (1) the number of design variables is only weakly dependent on the number of pre-selected microstructures, (2) it guarantees partition of unity while discouraging microstructure mixing, and (3) it supports automatic differentiation, thereby eliminating manual sensitivity analysis. The proposed framework is illustrated through several examples.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Amir M. Mirzendehdel

Polypills are single oral dosage forms that combine multiple active pharmaceutical ingredients and excipients, enabling fixed-dose combination therapies, coordinated multi-phase release, and precise customization of patient-specific treatment protocols. Recent advances in additive manufacturing facilitate the physical realization of multi-material excipients, offering superior customization of target release profiles. However, polypill formulations remain tuned by ad hoc parameter sweeps. The current design workflows are ill-suited for the systematic exploration of the high-dimensional space of shapes, compositions, and release behaviors. We present PILL-CoDe, a polypill co-design framework that simultaneously optimizes tablet geometry and excipient distribution to match prescribed drug-release kinetics. The framework couples a supershape parametrization of the pill geometry with a coordinate-based neural network representation of the excipient distribution, and governs dissolution through a coupled system of modified Allen-Cahn and Fickian diffusion equations. Implemented in JAX, the entire pipeline is end-to-end differentiable, with automatic differentiation providing exact sensitivities for gradient-based co-optimization of shape and composition under manufacturability constraints. We demonstrate the method through single-phase and multi-excipient case studies, showing accurate matching of both monotonic and non-monotonic target release profiles.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Krishnan Suresh

The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities due to severe mesh distortions, tangling, and large rotations, consequently leading to convergence failures. To address this challenge, we present a TO framework based on the Material Point Method (MPM). MPM is a hybrid Lagrangian-Eulerian particle method, well-suited for simulating large deformations. In particular, we present an end-to-end differentiable implicit MPM framework for designing structures undergoing quasi-static hyperelastic large deformations. The effectiveness of the approach is demonstrated through validation studies encompassing both single and multi-material designs, including the design of compliant soft robotic grippers. The software accompanying this paper can be accessed at github.com/UW-ERSL/MOTO.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Krishnan Suresh

Fluid-flow devices with low dissipation, but high contact area, are of importance in many applications. A well-known strategy to design such devices is multi-scale topology optimization (MTO), where optimal microstructures are designed within each cell of a discretized domain. Unfortunately, MTO is computationally very expensive since one must perform homogenization of the evolving microstructures, during each step of the homogenization process. As an alternate, we propose here a graded multiscale topology optimization (GMTO) for designing fluid-flow devices. In the proposed method, several pre-selected but size-parameterized and orientable microstructures are used to fill the domain optimally. GMTO significantly reduces the computation while retaining many of the benefits of MTO. In particular, GMTO is implemented here using a neural-network (NN) since: (1) homogenization can be performed off-line, and used by the NN during optimization, (2) it enables continuous switching between microstructures during optimization, (3) the number of design variables and computational effort is independent of number of microstructure used, and, (4) it supports automatic differentiation, thereby eliminating manual sensitivity analysis. Several numerical results are presented to illustrate the proposed framework.

Aaditya Chandrasekhar, Dex Doksoo Lee, Hyunwoo Kwon et al.

Gel-elastomer composites, comprising an active swellable hydrogel and a passive elastomer, are a compelling class of programmable material systems (PMS) capable of shape morphing under multiphysics actuation. The precise design of the topology and material distribution unlocks complex programmability instrumental in wearable electronics, soft robots, and drug delivery; however, the structure-function relationship is highly non-intuitive, rendering both trial-and-error and conventional design approaches largely intractable. To address this, we present a topology optimization (TO) framework for the automated design of such structures, enabling systematic exploration of the design space for target functionalities realized via programmable shape morphing. In particular, we propose a multi-material TO framework that concurrently optimizes the structural topology and the spatial distribution of the gel-elastomer phases. The design is represented via a coordinate-based neural network, and the mechanical response of both phases is described within a unified constitutive framework based on the Flory-Rehner theory. Furthermore, we present an end-to-end differentiable design framework with implicit differentiation that accommodates various objective functions, constraints, and discretizations. We demonstrate the framework on shape-programming structures and soft actuators. The framework is further validated through the design of organogel-hydrogel composites for multi-stimuli responsiveness across chemically distinct solvent environments, and of anisotropic hydrogels wherein the local fiber orientation is optimized concurrently with the topology. The codebase implemented in JAX is publicly shared to support benchmarking and reproducibility.

Aaditya Chandrasekhar, Saketh Sridhara, Krishnan Suresh

The engineering design process often entails optimizing the underlying geometry while simultaneously selecting a suitable material. For a certain class of simple problems, the two are separable where, for example, one can first select an optimal material, and then optimize the geometry. However, in general, the two are not separable. Furthermore, the discrete nature of material selection is not compatible with gradient-based geometry optimization, making simultaneous optimization challenging. In this paper, we propose the use of variational autoencoders (VAE) for simultaneous optimization. First, a data-driven VAE is used to project the discrete material database onto a continuous and differentiable latent space. This is then coupled with a fully-connected neural network, embedded with a finite-element solver, to simultaneously optimize the material and geometry. The neural-network's built-in gradient optimizer and back-propagation are exploited during optimization. The proposed framework is demonstrated using trusses, where an optimal material needs to be chosen from a database, while simultaneously optimizing the cross-sectional areas of the truss members. Several numerical examples illustrate the efficacy of the proposed framework. The Python code used in these experiments is available at github.com/UW-ERSL/MaTruss