47 citations · 108 across the 28 of their papers we have counts for
11 papers · 1 filter
Nanobubble size controls gas hydrate nucleation in supercooled water
Ramkhelavan Kanaujiya, Atanu K. Metya, Rajnish Kumar +1
Gas hydrates are crystalline compounds formed when water molecules encapsulate guest gas molecules under high pressure and low temperatures. They have gained significant interest d…
Gas Mixture Diffusion and Distribution in the Porous ZIF-90 Framework
Ashok Yacham, Tarak K. Patra, Jithin John Varghese
Understanding how gas mixtures diffuse and distribute within porous frameworks is central to designing advanced separation and storage materials. Here, we investigate the transport…
Breaking Ion Clusters: Size Asymmetry for Faster Ion Transport in Polymer Electrolytes
Ganesh K Rajahmundry, Tarak K Patra
Solid polymer electrolytes (SPEs) are ion-containing solid materials composed of a polymer matrix that enables ionic transport while maintaining the mechanical stability. The conve…
Packing, Phase Separation and Interface Compatibility in Reversibly Crosslinked Polymers
Abhishek S. Chankapure, Rahul Karmakar, Srikanth Sastry +2
Vitrimers are a class of crosslinked polymer that are capable of undergoing bond exchange reactions, allowing structural reorganization while maintaining overall network integrity.…
Sequence-Defined Phase Behavior of Poly(N-Isopropylacrylamide-co-Acrylamide) in Water
Sandeep Parma, R. Nagaranajan, Tarak K Patra
The precise arrangement of different chemical moieties in a polymer determines its thermophysical properties. How the sequence of moieties impacts the properties of a polymer is an…
Molecular Mechanisms of Polymer Crosslinking via Thermal Activation
Javed Akhtar, Jogeswar Chhatria, Sooraj Kunnikuruvan +2
Developing efficient and universal polymer crosslinking strategies is pivotal for advanced material design, especially for challenging matrixes like polyethylene, polypropylene, an…
Stability by Design: Atomistic Insights into Hydrolysis-Driven MOF Degradation
Ashok Yacham, Tarak K. Patra, Jithin John Varghese +1
Metal-organic frameworks (MOFs) are porous materials formed by interconnected metal atoms via organic linkers, resulting in high surface area and tuneable porosity, making them exc…
Microphase Separation Controls the Dynamics of Associative Vitrimers
Rahul Karmakar, Abhishek S. Chankapure, Srikanth Sastry +2
Vitrimers are a class of polymers characterized by dynamic covalent networks, where specific monomer units, which are know as stickers, form reversible crosslinks that enable netwo…
Thickening of liquids using copolymer grafted nanoparticles
Prama Adhya, Sachin M. B. Gautham, Tarak K Patra +2
Precise control over the flow behavior of liquids is a critical problem and is demanding for multifaceted applications. Introducing surface-engineered nanoparticles into the liquid…
Rouse Mode Analysis of Chain Relaxation in Reversibly Crosslinked Polymer Melts
Rahul Karmakar, Srikanth Sastry, Sanat K. Kumar +1
Polymer melts with chains undergoing reversible crosslinking have distinctively favorable dynamic properties, e.g., self healing and reprocessability. In these situations there are…
An Explainable AI Model for Binary LJ Fluids
Israrul H Hashmi, Rahul Karmakar, Marripelli Maniteja +2
Lennard-Jones (LJ) fluids serve as an important theoretical framework for understanding molecular interactions. Binary LJ fluids, where two distinct species of particles interact b…