2 citations · 2 across the 8 of their papers we have counts for
8 papers
Learning Interatomic Force Coefficients from X-ray Thermal Diffuse Scattering Data
Klara Suchan, Shaswat Mohanty, Hanfeng Zhai +1
We present a fully automated framework for extracting interatomic force constants (IFCs) directly from X-ray thermal diffuse scattering (TDS) data. By formulating scattering intens…
From Connectivity to Rupture: A Coarse-Grained Stochastic Network Dynamics Approach to Polymer Network Mechanics
Shaswat Mohanty, Wei Cai
We introduce a coarse-grained stochastic network dynamics (CGSND) framework for modeling deformation and rupture in polymer networks. The method replaces explicit molecular dynamic…
Large Deviations of First Passage Times of Branching Random Walks in : Asymptotics and Algorithms
Jose Blanchet, Wei Cai, Shaswat Mohanty +1
We investigate the large deviation probabilities of first passage times (FPT) of discrete-time supercritical non-lattice branching random walks (BRWs) in where $d\ge…
Why is the strength of an elastomeric polymer network so low?
Shaswat Mohanty, Jose Blanchet, Zhigang Suo +1
Experiments have long shown that a polymer network of covalent bonds commonly ruptures at a stress that is orders of magnitude lower than the strength of the covalent bonds. Here w…
Generalizability of Graph Neural Network Force Fields for Predicting Solid-State Properties
Shaswat Mohanty, Yifan Wang, Wei Cai
Machine-learned force fields (MLFFs) promise to offer a computationally efficient alternative to ab initio simulations for complex molecular systems. However, ensuring their genera…
On the First Passage Times of Branching Random Walks in
Jose Blanchet, Wei Cai, Shaswat Mohanty +1
We study the first passage times of discrete-time branching random walks in where . Here, the genealogy of the particles follows a supercritical Galton-Wat…
Network evolution controlling strain-induced damage and self-healing of elastomers with dynamic bonds
Yikai Yin, Shaswat Mohanty, Christopher B. Cooper +2
Highly stretchable and self-healable supramolecular elastomers are promising materials for future soft electronics, biomimetic systems, and smart textiles, due to their dynamic cro…
Modeling Shortest Paths in Polymeric Networks using Spatial Branching Processes
Zhenyuan Zhang, Shaswat Mohanty, Jose Blanchet +1
Recent studies have established a connection between the macroscopic mechanical response of polymeric materials and the statistics of the shortest path (SP) length between distant…