Search Results - "Yedukondalu, N"

Polymorphism, Phase Transition, and Lattice Dynamics of Energetic Oxidizer Ammonium Perchlorate under High Pressure by Yedukondalu, N, Vaitheeswaran, G

“…Ammonium perchlorate (AP) is an efficient energetic oxidizer with high density (1.95 g/cm3) and positive oxygen balance (34%), and it has been used as a…”
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Unraveling the Hidden Martensitic Phase Transition in BaClF and PbClF under High Pressure Using an Ab Initio Evolutionary Approach by Yedukondalu, N, Davari Esfahani, M. Mahdi

“…We predict crystal structures of MClF (M = Ba and Pb) compounds by performing an ab initio evolutionary simulation at ambient as well as high pressure. We…”
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High-Pressure Structural and Electronic Properties of Potassium-Based Green Primary Explosives by Abraham, B. Moses, Yedukondalu, N., Vaitheeswaran, G.

“…Recently synthesized green primary explosives potassium 4,4′-bis(dinitromethyl)-3,3′-azofurazanate (K 2 BDAF) and potassium…”
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Pressure-Induced Martensitic Phase Transition and Low Lattice Thermal Conductivity of SrClF by Kunduru, Lavanya, Yedukondalu, N, Roshan, S. C. Rakesh, Sripada, Suresh, Sainath, M, Ehm, Lars, Parise, John B

“…In the present work, we report a pressure-induced martensitic phase transition for SrClF, which is analogous to BaClF and PbClF compounds. The predicted…”
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Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF by Yedukondalu, N., Shafique, Aamir, Rakesh Roshan, S. C., Barhoumi, Mohamed, Muthaiah, Rajmohan, Ehm, Lars, Parise, John B., Schwingenschlögl, Udo

“…Understanding the interplay between various design strategies (for instance, bonding heterogeneity and lone pair induced anharmonicity) to achieve ultralow…”
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Highly Anisotropic to Isotropic Nature and Ultralow Out-of-Plane Lattice Thermal Conductivity of Layered PbClF-Type Materials by Rakesh Roshan, S. C., Yedukondalu, N., Rajaboina, Rakesh Kumar, Huang, Haw-Tyng, Ehm, Lars, Parise, John B.

“…Materials with an extreme lattice thermal conductivity (κl) are indispensable for thermal energy management applications. Layered materials provide an avenue…”
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First-principles study of electronic and optical properties of novel 2D TiOS monolayer and bilayer—Dimensionality reduction opens up a band gap in TiOS by Barhoumi, Mohamed, Said, Imen, Yedukondalu, N., Said, Moncef

“…The finding of advanced functional materials with superior properties to existing ones to develop cutting-edge technologies for societal advancement is…”
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Structural, Vibrational, and Electronic Properties of 1D-TlInTe2 under High Pressure: A Combined Experimental and Theoretical Study by Yesudhas, Sorb, Yedukondalu, N, Jana, Manoj K, Zhang, Jianbo, Huang, Jie, Chen, Bijuan, Deng, Hongshang, Sereika, Raimundas, Xiao, Hong, Sinogeikin, Stanislav, Kenney-Benson, Curtis, Biswas, Kanishka, Parise, John B, Ding, Yang, Mao, Ho-kwang

“…Analogous to 2D layered transition-metal dichalcogenides, the TlSe family of quasi-one dimensional chain materials with the Zintl-type structure exhibits novel…”
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Computational Study of Structural, Electronic, and Optical Properties of Crystalline NH4N3 by Yedukondalu, N, Ghule, Vikas D, Vaitheeswaran, G

“…A systematic computational study on the structural, electronic, bonding, and optical properties of orthorhombic ammonium azide (NH4N3) has been performed using…”
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Prediction and Synthesis of Dysprosium Hydride Phases at High Pressure by Salke, Nilesh P, Davari Esfahani, M. Mahdi, Yedukondalu, N, Zhang, Youjun, Kruglov, Ivan A, Zhou, Jianshi, Greenberg, Eran, Prakapenka, Vitali B, Liu, Jin, Oganov, Artem R, Lin, Jung-Fu

“…Crystal structure prediction (CSP) methods recently proposed a series of new rare-earth (RE) hydrides at high pressures with novel crystal structures, unusual…”
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Structural, electronic and optical properties of novel carbonate fluorides ABCO3F (A=K, Rb, Cs; B=Ca, Sr) by Narsimha Rao, E., Appalakondaiah, S., Yedukondalu, N., Vaitheeswaran, G.

“…In the present study, we performed first principles calculations on the electronic and optical properties of layered alkali–alkaline earth carbonate fluorides…”
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Anomalous Lattice Thermal Conductivity in Rocksalt IIA–VIA Compounds by Rakesh Roshan, S. C, Yedukondalu, N, Muthaiah, Rajmohan, Lavanya, Kunduru, Anees, Pazhedath, Kumar, Rajaboina Rakesh, Rao, Tumu Venkatappa, Ehm, Lars, Parise, John B

“…Materials with an intrinsic (ultra)­low lattice thermal conductivity (k L) are critically important for the development of efficient energy conversion devices…”
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Structural, elastic, electronic and optical properties of layered alkaline-earth halofluoride scintillators by Kanchana, V., Yedukondalu, N., Vaitheeswaran, G.

“…A systematic investigation of structural properties at ambient as well as at high pressure has been carried out for layered scintillators CaClF, CaBrF, SrClF,…”
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Structural properties of solid energetic materials: a van der Waals density functional study by Vaitheeswaran, G., Babu, K. Ramesh, Yedukondalu, N., Appalakondaiah, S.

“…In the present work we have focused our attention towards the complete description of structural properties of energetic solids, namely inorganic azides,…”
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Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study by VAITHEESWARAN, G, YEDUKONDALU, N, ABRAHAM, B MOSES

“…Hydro-nitrogen solids are potential high energy density materials (HEDMs) due to high mass ratio of nitrogen which find wide range of applications as…”
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Ab initio study of electronic structure, elastic and optical properties of anti-perovskite type alkali metal oxyhalides by Ramanna, J., Yedukondalu, N., Ramesh Babu, K., Vaitheeswaran, G.

“…We report the structural, elastic, electronic, and optical properties of antiperovskite alkali metal oxyhalides Na3OCl, Na3OBr, and K3OBr using two different…”
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Identifying Plant Diseases on Digital Farming using Canny Edge Detection Algorithm by Yedukondalu, N., Kumar, V. Bhuvana, Rao, A. Narayana

“…Plant diseases are usually affected by pests, insects, and pathogens then reduce output on a large amount of scale if not measured on time. Farmers are losing…”
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A Review on Digital Farming using Machine Learning Techniques by Yedukondalu, N., Bhuvana Kumar, V., Narayana Rao, A.

“…To compensate rainfall shortages and improve irrigation delivery for plants development, fresh water is necessary. Agricultural activities use more than 70% of…”
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Ab-initio study of structural, vibrational and optical properties of solid oxidizers by Yedukondalu, N., Vaitheeswaran, G.

“…We report the structural, elastic and vibrational properties of five ionic-molecular solid oxidizers MNO3 (M = Li, Na, K) and MClO3 (M = Na, K). By treating…”
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Negative linear compressibility and structural phase transition in energetic silver azide under pressure: A first principles study by Yedukondalu, N., Vaitheeswaran, G., Modak, P., Verma, Ashok K.

“…In this work, we have investigated high pressure behavior of silver azide within the framework of dispersion corrected density functional theory. We have…”
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