arXiv subjects

Aaditya Chandrasekhar

Publications and source records attributed to Aaditya Chandrasekhar.

At least 19 recordsLinked to original sources

arXiv2026

Thermo-Structural Topology Optimization Considering Nonlinear Creep

Creep is a primary life-limiting mechanism for metallic components operating at high temperature, producing permanent deformation under sustained loads even when stresses remain below yield. The design of structures to minimize this deformation is critical to extending the service life of components. Incorporating creep into topology optimization (TO) remains open because the response is nonlinear, history-dependent, and thermomechanically coupled, and prior work often relies on linear viscoelastic models, which do not capture the behavior of metals at high temperatures. To bridge this gap, we introduce a differentiable thermo-structural TO framework. The approach considers creep deformation using the Norton model and leverages JAX's automatic differentiation to perform adjoint sensitivity analysis, enabling efficient gradient-based optimization. The transient material response is solved via a backward Euler scheme over a prescribed service life. Our objective is to minimize creep deformation subject to a volume constraint. We first demonstrate the framework on canonical two-dimensional benchmarks, showing that the proposed formulation significantly reduces permanent deformation compared to designs optimized solely for elastic stiffness. We then pose, as a challenge problem, the compositional design of a three-dimensional graded material turbine blade in which the local mixture of two candidate alloys is optimized. This challenge problem exercises the full capability of the framework, including transient nonlinear creep, coupled thermal loading, three-dimensional geometry, and gradient-based multi-material design, highlighting the need for creep-aware design in high-temperature applications.

cs.CE↗

arXiv2026

GELATO: Multi-Material Topology Optimization of Programmable Gel-Elastomer Structures

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.

cs.CE↗

arXiv2026

PILL-CoDe: Inverse Design of Polypills via Automatic Differentiation for Prescribed Drug-Release Kinetics

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.

cs.CE↗

arXiv2026

MOTO: Topology Optimization for Large Deformations via an Implicit Material Point Method

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.

cs.CE↗

arXiv2025

TOMATOES: Topology and Material Optimization for Latent Heat Thermal Energy Storage Devices

Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.

cs.CE↗

arXiv2025

Data-Driven Topology Optimization for Multiscale Biomimetic Spinodal Design

Spinodoid architected materials have drawn significant attention due to their unique nature in stochasticity, aperiodicity, and bi-continuity. Compared to classic periodic truss-, beam- and plate-based lattice architectures, spinodoids are insensitive to manufacturing defects, scalable for high throughput production, functionally graded by tunable local properties, and material failure resistant due to low-curvature morphology. However, the design of spinodoids is often hindered by the curse of dimensionality with extremely large design space of spinodoid types, material density, orientation, continuity, and anisotropy. From a design optimization perspective, while genetic algorithms are often beyond the reach of computing capacity, gradient-based topology optimization is challenged by the intricate mathematical derivation of gradient fields with respect to various spinodoid parameters. To address such challenges, we propose a data-driven multiscale topology optimization framework. Our framework reformulates the design variables of spinodoid materials as the parameters of neural networks, enabling automated computation of topological gradients. Additionally, it incorporates a Gaussian Process surrogate for spinodoid constitutive models, eliminating the need for repeated computational homogenization and enhancing the scalability of multiscale topology optimization. Compared to 'black-box' deep learning approaches, the proposed framework provides clear physical insights into material distribution. It explicitly reveals why anisotropic spinodoids with tailored orientations are favored in certain regions, while isotropic spinodoids are more suitable elsewhere. This interpretability helps to bridge the gap between data-driven design with mechanistic understanding.

cs.CE↗

arXiv2025

TOFLUX: A Differentiable Topology Optimization Framework for Multiphysics Fluidic Problems

Topology Optimization (TO) holds the promise of designing next-generation compact and efficient fluidic devices. However, the inherent complexity of fluid-based TO systems, characterized by multiphysics nonlinear interactions, poses substantial barriers to entry for researchers. Beyond the inherent intricacies of forward simulation models, design optimization is further complicated by the difficulty of computing sensitivities, i.e., gradients. Manual derivation and implementation of sensitivities are often laborious and prone to errors, particularly for non-trivial objectives, constraints, and material models. An alternative solution is automatic differentiation (AD). Although AD has been previously demonstrated for simpler TO problems, extending its use to complex nonlinear multiphysics systems, specifically in fluidic optimization, is key to reducing the entry barrier. To this end, we introduce TOFLUX, a TO framework for fluid devices leveraging the JAX library for high-performance automatic differentiation. The flexibility afforded by AD enables the rapid exploration and evaluation of various objectives and constraints. We illustrate this capability through challenging examples encompassing thermo-fluidic coupling, fluid-structure interaction, and non-Newtonian flows. Additionally, we demonstrate the seamless integration of our framework with neural networks and machine learning methodologies, enabling modern approaches to scientific computing. Ultimately, the framework aims to provide a foundational resource to accelerate research and innovation in fluid-based TO. The software accompanying this educational paper can be accessed at github.com/UW-ERSL/TOFLUX.

cs.CE↗

arXiv2025

TOBACO: Topology Optimization via Band-limited Coordinate Networks for Compositionally Graded Alloys

Compositionally Graded Alloys (CGAs) offer unprecedented design flexibility by enabling spatial variations in composition; tailoring material properties to local loading conditions. This flexibility leads to components that are stronger, lighter, and more cost-effective than traditional monolithic counterparts. The fabrication of CGAs have become increasingly feasible owing to recent advancements in additive manufacturing (AM), particularly in multi-material printing and improved precision in material deposition. However, AM of CGAs requires imposition of manufacturing constraints; in particular limits on the maximum spatial gradation of composition. This paper introduces a topology optimization (TO) based framework for designing optimized CGA components with controlled compositional gradation. In particular, we represent the constrained composition distribution using a band-limited coordinate neural network. By regulating the network's bandwidth, we ensure implicit compliance with gradation limits, eliminating the need for explicit constraints. The proposed approach also benefits from the inherent advantages of TO using coordinate networks, including mesh independence, high-resolution design extraction, and end-to-end differentiability. The effectiveness of our framework is demonstrated through various elastic and thermo-elastic TO examples.

cs.CE↗

arXiv2024

TreeTOp: Topology Optimization using Constructive Solid Geometry Trees

Feature-mapping methods for topology optimization (FMTO) facilitate direct geometry extraction by leveraging high-level geometric descriptions of the designs. However, FMTO often relies solely on Boolean unions, which can restrict the design space. This work proposes an FMTO framework leveraging an expanded set of Boolean operations, namely, union, intersection, and subtraction. The optimization process entails determining the primitives and the optimal Boolean operation tree. In particular, the framework leverages a recently proposed unified Boolean operation approach. This approach presents a continuous and differentiable function that interpolates the Boolean operations, enabling gradient-based optimization. The proposed methodology is agnostic to the specific primitive parametrization and is showcased through various numerical examples.

cs.CE↗

arXiv2024

PhoTOS: Topology Optimization of Photonic Components using a Shape Library

Topology Optimization (TO) holds the promise of designing next-generation compact and efficient photonic components. However, ensuring the optimized designs comply with fabrication constraints imposed by semiconductor foundries remains a challenge. This work presents a TO framework that guarantees designs satisfy fabrication criteria, particularly minimum feature size and separation. Leveraging recent advancements in machine learning and feature mapping methods, our approach constructs components by transforming shapes from a predefined library, simplifying constraint enforcement. Specifically, we introduce a Convo-implicit Variational Autoencoder to encode the discrete shape library into a differentiable space, enabling gradient-based optimization. The efficacy of our framework is demonstrated through the design of several common photonic components.

math.NA↗

arXiv2024

VoroTO: Multiscale Topology Optimization of Voronoi Structures using Surrogate Neural Networks

Cellular structures found in nature exhibit remarkable properties such as high strength, high energy absorption, excellent thermal/acoustic insulation, and fluid transfusion. Many of these structures are Voronoi-like; therefore researchers have proposed Voronoi multi-scale designs for a wide variety of engineering applications. However, designing such structures can be computationally prohibitive due to the multi-scale nature of the underlying analysis and optimization. In this work, we propose the use of a neural network (NN) to carry out efficient topology optimization (TO) of multi-scale Voronoi structures. The NN is first trained using Voronoi parameters (cell site locations, thickness, orientation, and anisotropy) to predict the homogenized constitutive properties. This network is then integrated into a conventional TO framework to minimize structural compliance subject to a volume constraint. Special considerations are given for ensuring positive definiteness of the constitutive matrix and promoting macroscale connectivity. Several numerical examples are provided to showcase the proposed method.

cs.CE↗

arXiv2023

TOMAS: Topology Optimization of Multiscale Fluid Devices using Variational Autoencoders and Super-Shapes

In this paper, we present a framework for multiscale topology optimization of fluid-flow devices. The objective is to minimize dissipated power, subject to a desired contact-area. The proposed strategy is to design optimal microstructures in individual finite element cells, while simultaneously optimizing the overall fluid flow. In particular, parameterized super-shape microstructures are chosen here to represent microstructures since they exhibit a wide range of permeability and contact area. To avoid repeated homogenization, a finite set of these super-shapes are analyzed a priori, and a variational autoencoder (VAE) is trained on their fluid constitutive properties (permeability), contact area and shape parameters. The resulting differentiable latent space is integrated with a coordinate neural network to carry out a global multi-scale fluid flow optimization. The latent space enables the use of new microstructures that were not present in the original data-set. The proposed method is illustrated using numerous examples in 2D.

cs.CE↗

arXiv2023

PolyTO: Structural Topology Optimization using Convex Polygons

In this paper, we propose a topology optimization (TO) framework where the design is parameterized by a set of convex polygons. Extending feature mapping methods in TO, the representation allows for direct extraction of the geometry. In addition, the method allows one to impose geometric constraints such as feature size control directly on the polygons that are otherwise difficult to impose in density or level set based approaches. The use of polygons provides for more more varied shapes than simpler primitives like bars, plates, or circles. The polygons are defined as the feasible set of a collection of halfspaces. Varying the halfspace's parameters allows for us to obtain diverse configurations of the polygons. Furthermore, the halfspaces are differentiably mapped onto a background mesh to allow for analysis and gradient driven optimization. The proposed framework is illustrated through numerous examples of 2D structural compliance minimization TO. Some of the key limitations and future research are also summarized.

math.OC↗

arXiv2022

FluTO: Graded Multiscale Fluid Topology Optimization using Neural Networks

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.

math.NA↗

arXiv2022

A Generalized Framework for Microstructural Optimization using Neural Networks

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.

cond-mat.mtrl-sci↗

arXiv2022

FRC-TOuNN: Topology Optimization of Continuous Fiber Reinforced Composites using Neural Network

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.

cs.CE↗

arXiv2022

GM-TOuNN: Graded Multiscale Topology Optimization using Neural Networks

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.

cs.CE↗

arXiv2021

Integrating Material Selection with Design Optimization via Neural Networks

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

cs.CE↗