Zobrazeno 1 - 10
of 119
pro vyhledávání: '"Gururajan, M P"'
Autor:
Dutta, Tanmay, Mohan, Dasari, Shenoy, Saurav, Attar, Nasir, Kalokhe, Abhikshek, Sagar, Ajay, Bhure, Swapnil, Pradhan, Swaroop . S., Praharaj, Jitendriya, Mridha, Subham, Kushwaha, Anshika, Shah, Vaishali, Gururajan, M. P., Shenoi, V. Venkatesh, Phanikumar, Gandham, Bhattacharyya, Saswata, Choudhury, Abhik
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these formulations lend
Externí odkaz:
http://arxiv.org/abs/2404.01035
Autor:
Maitra, Arijit, Gururajan, M. P.
Nanomechanical responses (force-time profiles) of crystal lattices under deformation exhibit random critical jumps, reflecting the underlying structural transition processes. Despite extensive data collection, interpreting dynamic critical responses
Externí odkaz:
http://arxiv.org/abs/2402.08372
Coarsening of precipitates in coherent systems is influenced by the elastic fields of the precipitates and the interfacial curvature. It is also known that if precipitates are connected by dislocations, coarsening is affected by the elastic fields of
Externí odkaz:
http://arxiv.org/abs/2401.04382
The total energy is the most fundamental quantity in ab initio studies. To include electron-phonon interaction (EPI) contribution to the total energy, we have recast Allen's equation, for the case of semiconductors and insulators. This equivalent exp
Externí odkaz:
http://arxiv.org/abs/2309.04279
Despite several first principles studies, the relative stability of BN polymorphs remains controversial. The stable polymorph varies between the cubic (c-BN) and hexagonal (h-BN) depending on the van der Waals (vdW) dispersion approximation used. The
Externí odkaz:
http://arxiv.org/abs/2212.13877
Autor:
Varma, R. Arjun, Paul, Shilpa, Itale, Anup, Pable, Pranav, Tibrewala, Radhika, Dodal, Samruddhi, Yerunkar, Harshal, Bhaumik, Saurav, Shah, Vaishali, Gururajan, M. P., Prasanna, T. R. S.
Publikováno v:
ACS Omega 2023, 8, 12, 11251-11260
In density functional theory (DFT) based total energy studies, the van der Waals (vdW) and zero-point vibrational energy (ZPVE) correction terms are included to obtain energy differences between polymorphs. We propose and compute a new correction ter
Externí odkaz:
http://arxiv.org/abs/2204.08321
Defects play a key role in deciding the mechanisms and kinetics of phase transformations. In this paper, we show how dislocations influence phase separation in alloys with miscibility gap. Specifically, depending on the ratio of pipe mobility to bulk
Externí odkaz:
http://arxiv.org/abs/2107.12703
Using a phase-field model which incorporates enhanced diffusion at the nanowire surfaces, we study the effect of different parameters on the stability of intersecting nanowires. Our study shows that at the intersection of nanowires, sintering (curvat
Externí odkaz:
http://arxiv.org/abs/2107.01801
In general, with the addition of solutes, the yield strength of alloys is expected to increase and this phenomenon is known as solid solution strengthening. However, reports on the ``anomalous'' softening with alloying additions are not uncommon; for
Externí odkaz:
http://arxiv.org/abs/2106.06557
The interface stresses at of the solid-melt interface are, in general, anisotropic. The anisotropy in the interfacial stress can be evaluated using molecular dynamics (MD) and phase field crystal (PFC) models. In this paper, we report our results on
Externí odkaz:
http://arxiv.org/abs/2105.14521