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265 results on '"Mahato, B."'

1. Understanding the phase stability in multi-principal-component AlCuFeMn alloy

Author

Swarnakar, Palash, Ghosh, M., Mahato, B., De, Partha Sarathi, and Roy, Amritendu

Subjects
Condensed Matter - Materials Science
Abstract

Method(s) that can reliably predict phase evolution across thermodynamic parameter space, especially in complex systems are of critical significance in academia as well as in the manufacturing industry. In the present work, phase stability in equimolar AlCuFeMn multi-principal-component alloy (MPCA) was predicted using complementary first-principles density functional theory (DFT) calculations, and ab-initio molecular dynamics (AIMD) simulations. Temperature evolution of completely disordered, partially ordered, and completely ordered phases was examined based on Gibbs free energy. Configurational, electronic, vibrational, and lattice mismatch entropies were considered to compute the Gibbs free energy of the competing phases. Additionally, elemental segregation was studied using ab-initio molecular dynamics (AIMD). The predicted results at 300K align well with room-temperature experimental observations using x-ray diffraction, scanning and transmission electron microscopy on a sample prepared using commercially available pure elements. The adopted method could help in predicting plausible phases in other MPCA systems with complex phase stability.

Published
2024

6. Approximate Solutions of a Kinetic Theory for Graphene

Author

Blaschke, D. B., Dmitriev, V. V., Gevorgyan, N. T., Mahato, B., Panferov, A. D., Smolyansky, S. A., and Tseryupa, V. A.

Subjects
Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Optics
Abstract

The effective mass approximation is analysed in a nonperturbative kinetic theory approach to strong field excitations in graphene [1,2]. This problem is highly actual for the investigation of quantum radiation from graphene [3], where the collision integrals in the photon kinetic equation are rather complicated functionals of the distribution functions of the charge carriers. These functions are needed in the explicit analytical definition as solutions of the kinetic equations for the electron-hole excitations. In the present work it is shown that the suggested approach is rather effective in a certain range of parameters for the pulse of an external electromagnetic field. For example, the applicability condition of the approximation in the case of a harmonic field is $\hbar \omega^2 / (\sqrt{2} e E_0 v_F) < 1$, were $v_F$ is the Fermi velocity. In the standard massive quantum electrodynamics the usability of the analogical approximation is very narrow., Comment: 14 pages, 3 figures

Published
2022
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9. Benchmark exercise on image-based permeability determination of engineering textiles: Microscale predictions

Author

Syerko, E., Schmidt, T., May, D., Binetruy, C., Advani, S.G., Lomov, S., Silva, L., Abaimov, S., Aissa, N., Akhatov, I., Ali, M., Asiaban, N., Broggi, G., Bruchon, J., Caglar, B., Digonnet, H., Dittmann, J., Drapier, S., Endruweit, A., Guilloux, A., Kandinskii, R., Leygue, A., Mahato, B., Martínez-Lera, P., Matveev, M., Michaud, V., Middendorf, P., Moulin, N., Orgéas, L., Park, C.H., Rief, S., Rouhi, M., Sergeichev, I., Shakoor, M., Shishkina, O., Swolfs, Y., Tahani, M., Umer, R., Vanclooster, K., and Vorobyev, R.

Published
2023
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10. Understanding the phase stability in a multi-principal-component AlCuFeMn alloy.

Author

Swarnakar, Palash, Ghosh, M, Mahato, B, De, Partha Sarathi, and Roy, Amritendu

Subjects
SCANNING transmission electron microscopy, GIBBS' free energy, AB-initio calculations, DENSITY functional theory, MOLECULAR dynamics
Abstract

Method(s) that can reliably predict phase evolution across thermodynamic parameter space, especially in complex systems, are of critical significance in academia as well as in the manufacturing industry. In the present work, the phase stability in an equimolar AlCuFeMn multi-principal-component alloy (MPCA) was predicted using complementary first-principles density functional theory calculations and ab initio molecular dynamics (AIMD) simulations. The temperature evolution of completely disordered, partially ordered, and completely ordered phases was examined based on the Gibbs free energy. Configurational, electronic, vibrational, and lattice mismatch entropies were considered to compute the Gibbs free energy of the competing phases. Additionally, elemental segregation was studied using AIMD. The predicted results at 300 K align well with room-temperature experimental observations using x-ray diffraction and scanning and transmission electron microscopy on a sample prepared using commercially available pure elements. The adopted method could help in predicting plausible phases in other MPCA systems with complex phase stability. [ABSTRACT FROM AUTHOR]

Published
2024
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15. Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations

Author

Röpke, G., (0000-0001-7293-6615) Dornheim, T., (0000-0001-5926-9192) Vorberger, J., (0000-0002-8399-5183) Blaschke, D., Mahato, B., Röpke, G., (0000-0001-7293-6615) Dornheim, T., (0000-0001-5926-9192) Vorberger, J., (0000-0002-8399-5183) Blaschke, D., and Mahato, B.

Abstract

The properties of plasmas in the low-density limit are described by virial expansions. Analytical expressions are known from Green's function approaches only for the first three virial coefficients. Accurate path integral Monte Carlo (PIMC) simulations have recently been performed for the uniform electron gas, allowing the virial expansions to be analyzed and interpolation formulas to be derived. The exact expression for the second virial coefficient is used to test the accuracy of the PIMC simulations and the range of validity of the interpolation formula of Groth {\it et al.}~[Phys.~Rev.~Lett.~\textbf{119}, 135001 (2017)]. We discuss the fourth virial coefficient, which is of interest, e.g., for properties of solar plasmas, but has not yet been precisely known. Combining PIMC simulations with benchmarks from exact results of the virial expansion would allow us to obtain precise results for the equation of state (EoS) in a wide range of parameters.

Published
2024

44. A software simulator for noisy quantum circuits.

Author

Chaudhary, H., Mahato, B., Priyadarshi, L., Roshan, N., Utkarsh, and Patel, A. D.

Subjects
*QUANTUM logic, *LOGIC circuits, *DENSITY matrices, *PAULI matrices, *QUANTUM states
Abstract

We have developed a software library that simulates noisy quantum logic circuits. We represent quantum states by their density matrices in the Pauli basis, and incorporate possible errors in initialization, logic gates, memory and measurement using simple models. Our quantum simulator is implemented as a new backend on IBM's open-source Qiskit platform. In this paper, we provide its description, and illustrate it with some simple examples. [ABSTRACT FROM AUTHOR]

Published
2022
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