B. Tech. : Indian Institute of Engineering Science and Technology (IIEST) Shibpur, West Bengal
PhD : Indian Institute of Technology Kanpur, Kanpur, U.P.
RESEARCH, TEACHING, or OTHER INTERESTS
Aerospace Engineering, Civil and Structural Engineering, Computational Mechanics, Mechanics of Materials
11
Scopus Publications
307
Scholar Citations
6
Scholar h-index
6
Scholar i10-index
Scopus Publications
Effective elastic properties of 3D lattice materials with intrinsic stresses: Bottom-up spectral characterization and constitutive programming P. Sinha, D. Kundu, S. Naskar, T. Mukhopadhyay Applied Mathematical Modelling, 2025 Analytical investigations to characterize the effective mechanical properties of lattice materials allow an in-depth exploration of the parameter space efficiently following an insightful, yet elegant framework. 2D lattice materials, which have been extensively dealt with in the literature following analytical as well as numerical and experimental approaches, have limitations concerning multi-directional stiffness and Poisson's ratio tunability. The primary objective of this paper is to develop mechanics-based formulations for a more complex analysis of 3D lattices, leading to a physically insightful analytical approach capable of accounting the beam-level mechanics of pre-existing intrinsic stresses along with their interaction with 3D unit cell architecture. We have investigated the in-plane and out-of-plane effective elastic properties to portray the physics behind the deformation of 3D lattices under externally applied far-field normal and shear stresses. The considered effect of beam-level intrinsic stresses therein can be regarded as a consequence of inevitable temperature variation, pre-stress during fabrication, inelastic and non-uniform deformation, manufacturing irregularities etc. Such effects can notably impact the effective elastic properties of lattice materials, quantifying which for 3D honeycombs is the central focus of this work. Further, from the material innovation viewpoint, the intrinsic stresses can be deliberately introduced to expand the microstructural design space for effective elastic property modulation of 3D lattices. This will lead to programming of effective properties as a function of intrinsic stresses without altering the microstructural geometry and lattice density. We have proposed a generic spectral framework of analyzing 3D lattices analytically, wherein the beam-level stiffness matrix including the effect of bending, axial, shear and twisting deformations along with intrinsic stresses can be coupled with the unit cell mechanics for obtaining the effective elastic properties. • Influence of elementary-level intrinsic residual stresses on 3D lattices. • Novel material innovation through programmed introduction of intrinsic stresses. • Physically insightful mechanics-based bottom-up analytical spectral approach. • In-plane and out-of-plane constitutive properties of 3D metamaterials.
Catalysis in the digital age: Unlocking the power of data with machine learning Bokinala Moses Abraham, Mullapudi V. Jyothirmai, Priyanka Sinha, Francesc Viñes, Jayant K. Singh, Francesc Illas Wiley Interdisciplinary Reviews Computational Molecular Science, 2024 The design and discovery of new and improved catalysts are driving forces for accelerating scientific and technological innovations in the fields of energy conversion, environmental remediation, and chemical industry. Recently, the use of machine learning (ML) in combination with experimental and/or theoretical data has emerged as a powerful tool for identifying optimal catalysts for various applications. This review focuses on how ML algorithms can be used in computational catalysis and materials science to gain a deeper understanding of the relationships between materials properties and their stability, activity, and selectivity. The development of scientific data repositories, data mining techniques, and ML tools that can navigate structural optimization problems are highlighted, leading to the discovery of highly efficient catalysts for a sustainable future. Several data‐driven ML models commonly used in catalysis research and their diverse applications in reaction prediction are discussed. The key challenges and limitations of using ML in catalysis research are presented, which arise from the catalyst's intrinsic complex nature. Finally, we conclude by summarizing the potential future directions in the area of ML‐guided catalyst development.This article is categorized under: Structure and Mechanism > Reaction Mechanisms and Catalysis Data Science > Artificial Intelligence/Machine Learning Electronic Structure Theory > Density Functional Theory
Machine-Learning-Driven High-Throughput Screening of Transition-Metal Atom Intercalated g-C3N4/MX2 (M = Mo, W; X = S, Se, Te) Heterostructures for the Hydrogen Evolution Reaction M. V. Jyothirmai, Roshini Dantuluri, Priyanka Sinha, B. Moses Abraham, Jayant K. Singh ACS Applied Materials and Interfaces, 2024 Rising global energy demand, accompanied by environmental concerns linked to conventional fossil fuels, necessitates a shift toward cleaner and sustainable alternatives. This study focuses on the machine-learning (ML)-driven high-throughput screening of transition-metal (TM) atom intercalated g-C3N4/MX2 (M = Mo, W; X = S, Se, Te) heterostructures to unravel the rich landscape of possibilities for enhancing the hydrogen evolution reaction (HER) activity. The stability of the heterostructures and the intercalation within the substrates are verified through adhesion and binding energies, showcasing the significant impact of chalcogenide selection on the interaction properties. Based on hydrogen adsorption Gibbs free energy (ΔGH) computed via density functional theory (DFT) calculations, several ML models were evaluated, particularly random forest regression (RFR) emerges as a robust tool in predicting HER activity with a low mean absolute error (MAE) of 0.118 eV, thereby paving the way for accelerated catalyst screening. The Shapley Additive exPlanation (SHAP) analysis elucidates pivotal descriptors that influence the HER activity, including hydrogen adsorption on the C site (HC), MX layer (HMX), S site (HS), and intercalation of TM atoms at the N site (IN). Overall, our integrated approach utilizing DFT and ML effectively identifies hydrogen adsorption on the N site (site-3) of g-C3N4 as a pivotal active site, showcasing exceptional HER activity in heterostructures intercalated with Sc and Ti, underscoring their potential for advancing catalytic performance.
Pneumatic elastostatics of multi-functional inflatable lattices: realization of extreme specific stiffness with active modulation and deployability P. Sinha, T. Mukhopadhyay Royal Society Open Science, 2024 As a consequence of intense investigation on possible topologies of periodic lattices, the limit of specific elastic moduli that can be achieved solely through unit cell-level geometries in artificially engineered lattice-based materials has reached a point of saturation. There exists a robust rationale to involve more elementary-level mechanics for pushing such boundaries further to develop extreme lightweight multi-functional materials with adequate stiffness. We propose a novel class of inflatable lattice materials where the global-level stiffness can be derived based on a fundamentally different mechanics compared with conventional lattices having beam-like solid members, leading to extreme specific stiffness due to the presence of air in most of the lattice volume. Furthermore, such inflatable lattices would add multi-functionality in terms of on-demand performances such as compact storing, portability and deployment along with active stiffness modulation as a function of air pressure. We have developed an efficient unit cell-based analytical approach therein to characterize the effective elastic properties including the effect of non-rigid joints. The proposed inflatable lattices would open new frontiers in engineered materials and structures that will find critical applications in a range of technologically demanding industries such as aircraft structures, defence, soft robotics, space technologies, biomedical and various other mechanical systems.
Programmable multi-physical mechanics of mechanical metamaterials P. Sinha, T. Mukhopadhyay Materials Science and Engineering R Reports, 2023 Mechanical metamaterials are engineered materials with unconventional mechanical behavior that originates from artificially programmed microstructures along with intrinsic material properties. With tremendous advancement in computational and manufacturing capabilities to realize complex microstructures over the last decade, the field of mechanical metamaterials has been attracting wide attention due to immense possibilities of achieving unprecedented multi-physical properties which are not attainable in naturally-occurring materials. One of the rapidly emerging trends in this field is to couple the mechanics of material behavior and the unit cell architecture with different other multi-physical aspects such as electrical or magnetic fields, and stimuli like temperature, light or chemical reactions to expand the scope of actively programming on-demand mechanical responses. In this article, we aim to abridge outcomes of the relevant literature concerning mechanical and multi-physical property modulation of metamaterials focusing on the emerging trend of bi-level design, and subsequently highlight the broad-spectrum potential of mechanical metamaterials in their critical engineering applications. The evolving trends, challenges and future roadmaps have been critically analyzed here involving the notions of real-time reconfigurability and functionality programming, 4D printing, nano-scale metamaterials, artificial intelligence and machine learning, multi-physical origami/kirigami, living matter, soft and conformal metamaterials, manufacturing complex microstructures, service-life effects and scalability.
Non-invariant elastic moduli of bi-level architected lattice materials through programmed domain discontinuity P. Sinha, M.G. Walker, T. Mukhopadhyay Mechanics of Materials, 2023 Effective elastic moduli of lattice-based materials are one of the most crucial parameters for the adoption of such artificial microstructures in advanced mechanical and structural systems as per various application-specific demands. In conventional naturally occurring materials, these elastic moduli remain invariant under tensile and compressive normal modes or clock-wise and anti-clock-wise shear modes. Here we introduce programmed domain discontinuities in the cell walls of the unit-cells of lattice metamaterials involving a bi-level microstructural design to achieve non-invariant elastic moduli under tensile and compressive normal modes or clock-wise and anti-clock-wise shear modes. More interestingly, such non-invariance can be realized in the linear small deformation regime and the elastic moduli can be tailored to have higher or lower value in any mode compared to the other depending on the placement and intensity of the discontinuities in a programmable paradigm. We have derived an efficient analytical framework for the effective elastic moduli of lattice materials taking into account the influence of domain discontinuity. The axial and shear deformations at the beam level are considered along with bending deformation in the proposed analytical expressions. The numerical results ascertain that the domain discontinuities, in conjunction with unit cell level geometric parameters, can impact the effective elastic constants significantly under different modes of far-field stresses. It is further revealed that the degree of auxeticity of such lattices can be programmed to have target values (including non-invariance under different modes of deformation) as a function of the intensity and location of domain discontinuity when axial and shear deformations are included at the beam level. Realization of the unusual non-invariant elastic moduli of bi-level architected lattice materials would lead to a range of technologically demanding niche applications where one mode of deformation requires more or less force to deform compared to the opposite mode. Besides being able to perform as a load-bearing component, the proposed metamaterial can be used as an integrated sensor for measuring the level of stress or strain in structures.
On-demand contactless programming of nonlinear elastic moduli in hard magnetic soft beam based broadband active lattice materials P Sinha, T Mukhopadhyay Smart Materials and Structures, 2023 Engineered honeycomb lattice materials with high specific strength and stiffness along with the advantage of programmable direction-dependent mechanical tailorability are being increasingly adopted for various advanced multifunctional applications. To use these artificial microstructures with unprecedented mechanical properties in the design of different application-specific structures, it is essential to investigate the effective elastic moduli and their dependence on the microstructural geometry and the physics of deformation at the elementary level. While it is possible to have a wide range of effective mechanical properties based on their designed microstructural geometry, most of the recent advancements in this field lead to passive mechanical properties, meaning it is not possible to actively modulate the lattice-level properties after they are manufactured. Thus the on-demand control of mechanical properties is lacking, which is crucial for a range of multi-functional applications in advanced structural systems. To address this issue, we propose a new class of lattice materials wherein the beam-level multi-physical deformation behavior can be exploited as a function of external stimuli like magnetic field by considering hard magnetic soft beams. More interestingly, effective property modulation at the lattice level would be contactless without the necessity of having a complex network of electrical circuits embedded within the microstructure. We have developed a semi-analytical model for the nonlinear effective elastic properties of such programmable lattice materials under large deformation, wherein the mechanical properties can be modulated in an expanded design space of microstructural geometry and magnetic field. The numerical results show that the effective properties can be actively modulated as a function of the magnetic field covering a wide range (including programmable state transition with on-demand positive and negative values), leading to the behavior of soft polymer to stiff metals in a single lattice microstructure according to operational demands.
Effective elastic properties of 3d lattice materials with intrinsic stresses: bottom-up spectral characterization and constitutive programming P Sinha, D Kundu, S Naskar, T Mukhopadhyay Applied Mathematical Modelling 140, 115786 , 2025 2025.0 Citations: 11
Programmable multi-physical mechanics of mechanical metamaterials P Sinha, T Mukhopadhyay 力学进展 54 (4), 823-871 , 2024 2024.0
可编程多物理机制的力学超材料 P Sinha, T Mukhopadhyay 力学进展 54 (4), 823-871 , 2024 2024.0
Pneumatic elastostatics of multi-functional inflatable lattices: realization of extreme specific stiffness with active modulation and deployability P Sinha, T Mukhopadhyay Royal Society Open Science 11 (2) , 2024 2024.0 Citations: 17
Programmable multi-physical mechanics of mechanical metamaterials P Sinha, T Mukhopadhyay Materials Science and Engineering: R: Reports 155, 100745 , 2023 2023.0 Citations: 208
Non-invariant elastic moduli of bi-level architected lattice materials through programmed domain discontinuity P Sinha, MG Walker, T Mukhopadhyay Mechanics of Materials 184, 104691 , 2023 2023.0 Citations: 13
On-demand contactless programming of nonlinear elastic moduli in hard magnetic soft beam based broadband active lattice materials P Sinha, T Mukhopadhyay Smart Materials and Structures 32 (5), 055021 , 2023 2023.0 Citations: 34
Effective elastic properties of lattice materials with intrinsic stresses P Sinha, T Mukhopadhyay Thin-Walled Structures 173, 108950 , 2022 2022.0 Citations: 24
E ective elastic properties of 3D lattice materials with intrinsic stresses: Bottom-up spectral characterization and constitutive programming P Sinhaa, D Kundua, S Naskarb, T Mukhopadhyayb
Supplementary material Pneumatic elastostatics of multi-functional inflatable lattices: Realization P Sinha, T Mukhopadhyaya
Effective elastic properties of lattice materials with intrinsic stresses P Sinhaa, T Mukhopadhyaya
Elastostatics of multi-functional inflatable lattices: Realization of extreme specific stiffness with active modulation and deployability P Sinhaa, T Mukhopadhyayb
SENSITIVITY ANALYSIS OF THE ELASTIC MODULI OF HONEYCOMB LATTICE METAMATERIALS P Sinha, T Mukhopadhyay
MOST CITED SCHOLAR PUBLICATIONS
Programmable multi-physical mechanics of mechanical metamaterials P Sinha, T Mukhopadhyay Materials Science and Engineering: R: Reports 155, 100745 , 2023 2023.0 Citations: 208
On-demand contactless programming of nonlinear elastic moduli in hard magnetic soft beam based broadband active lattice materials P Sinha, T Mukhopadhyay Smart Materials and Structures 32 (5), 055021 , 2023 2023.0 Citations: 34
Effective elastic properties of lattice materials with intrinsic stresses P Sinha, T Mukhopadhyay Thin-Walled Structures 173, 108950 , 2022 2022.0 Citations: 24
Pneumatic elastostatics of multi-functional inflatable lattices: realization of extreme specific stiffness with active modulation and deployability P Sinha, T Mukhopadhyay Royal Society Open Science 11 (2) , 2024 2024.0 Citations: 17
Non-invariant elastic moduli of bi-level architected lattice materials through programmed domain discontinuity P Sinha, MG Walker, T Mukhopadhyay Mechanics of Materials 184, 104691 , 2023 2023.0 Citations: 13
Effective elastic properties of 3d lattice materials with intrinsic stresses: bottom-up spectral characterization and constitutive programming P Sinha, D Kundu, S Naskar, T Mukhopadhyay Applied Mathematical Modelling 140, 115786 , 2025 2025.0 Citations: 11
Programmable multi-physical mechanics of mechanical metamaterials P Sinha, T Mukhopadhyay 力学进展 54 (4), 823-871 , 2024 2024.0
可编程多物理机制的力学超材料 P Sinha, T Mukhopadhyay 力学进展 54 (4), 823-871 , 2024 2024.0
E ective elastic properties of 3D lattice materials with intrinsic stresses: Bottom-up spectral characterization and constitutive programming P Sinhaa, D Kundua, S Naskarb, T Mukhopadhyayb
Supplementary material Pneumatic elastostatics of multi-functional inflatable lattices: Realization P Sinha, T Mukhopadhyaya
Effective elastic properties of lattice materials with intrinsic stresses P Sinhaa, T Mukhopadhyaya
Elastostatics of multi-functional inflatable lattices: Realization of extreme specific stiffness with active modulation and deployability P Sinhaa, T Mukhopadhyayb
SENSITIVITY ANALYSIS OF THE ELASTIC MODULI OF HONEYCOMB LATTICE METAMATERIALS P Sinha, T Mukhopadhyay
