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Journal Articles

Thermal behavior of Pr_1-xBa_xCoO₃ (0.1≤x≤0.5)

Rajesh K. Thakur, Rasna Thakur, Parul Jain, N. K. Gaur

AIP Conf. Proc. 2800, 020210 (2023)

https://doi.org/10.1063/5.0169001

Published: September 2023

View article titled, Thermal behavior of Pr1-xBaxCoO3 (0.1≤x≤0.5)

Journal Articles

Structural and electronic properties of TcSi in B20 structure

Madhu Sarwan, Faisal Shareef Modakkali, Sadhna Singh

AIP Conf. Proc. 2800, 020105 (2023)

https://doi.org/10.1063/5.0162964

Published: September 2023

View article titled, Structural and electronic properties of TcSi in B20 structure

Journal Articles

DFT calculations on heat capacity and Debye temperature of Cs₂GeF₆ perovskite under high temperature and pressure

Preeti Kumari, C. Ashwathkumaran, Vipul Srivastava

AIP Conf. Proc. 2800, 020315 (2023)

https://doi.org/10.1063/5.0163161

Published: September 2023

View article titled, DFT calculations on heat capacity and Debye temperature of Cs2GeF6 perovskite under high temperature and pressure

Journal Articles

Investigation on structural stability and electronic properties of RuN

Sakshi Tiwari, Pushplata Shukla, Sadhna Singh

AIP Conf. Proc. 2800, 020068 (2023)

https://doi.org/10.1063/5.0163059

Published: September 2023

View article titled, Investigation on structural stability and electronic properties of RuN

Journal Articles

First principle prediction of structural and electronic properties of CsIO₃

Rajaram Ravte, S. N. Tripathi, Madhu Sarwan, Sadhna Singh

AIP Conf. Proc. 2800, 020097 (2023)

https://doi.org/10.1063/5.0164865

Published: September 2023

View article titled, First principle prediction of structural and electronic properties of CsIO3

Journal Articles

Investigation of structural and electronic properties of boron carbide based on SCAN meta-GGA functional

Muhammad R. Ramadhan, Imam M. Al-Khafiiz, Jihan Anavisha, Jofim Y. Napitupulu, Wanda R. Tiana, Fahmi Astuti, M. Zuhnir Piliang

AIP Conf. Proc. 2604, 020030 (2023)

https://doi.org/10.1063/5.0114223

Published: May 2023

View article titled, Investigation of structural and electronic properties of boron carbide based on SCAN meta-GGA functional

Journal Articles

Microstructure-based numerical estimation of effective elastic properties of porous zirconium carbide

Albert Pazhin, Artyom Chirkov, Mikhail Eremin

AIP Conf. Proc. 2507, 040012 (2023)

https://doi.org/10.1063/5.0109450

Published: March 2023

View article titled, Microstructure-based numerical estimation of effective elastic properties of porous zirconium carbide

Journal Articles

Structural, and electronic properties of ZnX (X = S, Se, Te) by first-principles calculation

Iman A. Laim, Ahmed S. Jbara, Hadey K. Mohamad

AIP Conf. Proc. 2398, 020072 (2022)

https://doi.org/10.1063/5.0093962

Published: October 2022

View article titled, Structural, and electronic properties of ZnX (X = S, Se, Te) by first-principles calculation

Journal Articles

Molecular interactions study in polymer blends of chitosan(Ch)/polyvinyl pyrrolidone(PVP) in a buffer solution, within 303.15 K-323.15 K

Monika Dhiman, Arun Upmanyu, Pankaj Kumar, Jasdev Bhatti, D. P. Singh

AIP Conf. Proc. 2357, 070008 (2022)

https://doi.org/10.1063/5.0080612

Published: May 2022

View article titled, Molecular interactions study in polymer blends of chitosan(Ch)/polyvinyl pyrrolidone(PVP) in a buffer solution, within 303.15 K-323.15 K

Journal Articles

A first principle study of thermo-physical properties of RhN under high temperatures and high pressures

Atul Gour, Madhu Sarwan, Rajaram Ravte, Surendra N. Tripati, Suman Yadav, Sadhna Singh

AIP Conf. Proc. 2369, 020169 (2021)

https://doi.org/10.1063/5.0061027

Published: September 2021

View article titled, A first principle study of thermo-physical properties of RhN under high temperatures and high pressures

Journal Articles

Study of temperature dependent elastic properties of CaO

Pooja Vyas, N. K. Bhatt, P. R. Vyas

AIP Conf. Proc. 2352, 020060 (2021)

https://doi.org/10.1063/5.0052457

Published: August 2021

View article titled, Study of temperature dependent elastic properties of CaO

Journal Articles

Mechanical and physical properties of SrO-ZrO₂ modified SODA lime borosilicate glasses

Manmeet Kaur Chhina, Rhythm Mittal, K. Singh

AIP Conf. Proc. 2352, 020062 (2021)

https://doi.org/10.1063/5.0052769

Published: August 2021

View article titled, Mechanical and physical properties of SrO-ZrO2 modified SODA lime borosilicate glasses

Journal Articles

Elastic and thermal properties of terbium dihydride: An ab-initio study

Dhara Raval, Komal Patel, Bindiya Babariya, K. A. Nekrasov, Sanjeev K. Gupta, P. N. Gajjar

AIP Conf. Proc. 2313, 030062 (2020)

https://doi.org/10.1063/5.0032945

Published: December 2020

View article titled, Elastic and thermal properties of terbium dihydride: An ab-initio study

Journal Articles

Development of uranium nitride crystals mathematical model for molecular dynamics simulation

S. S. Pitskhelaury, K. A. Nekrasov, D. S. Borisenko, D. D. Seitov, A. Ya. Kupryazhkin

AIP Conf. Proc. 2313, 070002 (2020)

https://doi.org/10.1063/5.0032828

Published: December 2020

View article titled, Development of uranium nitride crystals mathematical model for molecular dynamics simulation

Journal Articles

Molecular dynamics simulation to determine elastic constant and bulk modulus from Mg-xZn

Muhammad Akbar Elnanda Dzulfikar, Dyah Hikmawati, Adri Supardi

AIP Conf. Proc. 2314, 020005 (2020)

https://doi.org/10.1063/5.0035227

Published: December 2020

View article titled, Molecular dynamics simulation to determine elastic constant and bulk modulus from Mg-xZn

Journal Articles

Molecular dynamics study of mechanical properties of Zn – xMg alloy for metal biomaterial

Sofis Midori, Dyah Hikmawati, Adri Supardi

AIP Conf. Proc. 2314, 020003 (2020)

https://doi.org/10.1063/5.0036372

Published: December 2020

View article titled, Molecular dynamics study of mechanical properties of Zn – xMg alloy for metal biomaterial

Journal Articles

A critical view on the role of dynamic solubility limits and large gas contents in injection foam molding

Clemens Kastner, Georg Steinbichler

AIP Conf. Proc. 2289, 020030 (2020)

https://doi.org/10.1063/5.0028326

Published: November 2020

View article titled, A critical view on the role of dynamic solubility limits and large gas contents in injection foam molding

Journal Articles

Thermoelectric response of anti-fluoride Sr₂Ge semiconducting material: A first-principles study

Harsha Pawar, Nikita Acharya, Mani Shugani, Mahendra Aynyas, Sankar P. Sanyal

AIP Conf. Proc. 2265, 030438 (2020)

https://doi.org/10.1063/5.0017534

Published: November 2020

View article titled, Thermoelectric response of anti-fluoride Sr2Ge semiconducting material: A first-principles study

Journal Articles

Thermal transport behavior of Ni doped NdCoO₃

Rasna Thakur, Rajesh K. Thakur, N. K. Gaur

AIP Conf. Proc. 2265, 030427 (2020)

https://doi.org/10.1063/5.0018014

Published: November 2020

View article titled, Thermal transport behavior of Ni doped NdCoO3

Journal Articles

An investigation of bulk modulus and cohesive energy of GaP in the local density approximation

Kiran John U., Roby Cherian, Amegha Sahni, Mili S. Mohan, Siby Mathew

AIP Conf. Proc. 2265, 030347 (2020)

https://doi.org/10.1063/5.0017216

Published: November 2020

View article titled, An investigation of bulk modulus and cohesive energy of GaP in the local density approximation

NARROW

Topics

Thermal behavior of Pr_1-xBa_xCoO₃ (0.1≤x≤0.5)

Structural and electronic properties of TcSi in B20 structure

DFT calculations on heat capacity and Debye temperature of Cs₂GeF₆ perovskite under high temperature and pressure

Investigation on structural stability and electronic properties of RuN

First principle prediction of structural and electronic properties of CsIO₃

Investigation of structural and electronic properties of boron carbide based on SCAN meta-GGA functional

Microstructure-based numerical estimation of effective elastic properties of porous zirconium carbide

Structural, and electronic properties of ZnX (X = S, Se, Te) by first-principles calculation

Molecular interactions study in polymer blends of chitosan(Ch)/polyvinyl pyrrolidone(PVP) in a buffer solution, within 303.15 K-323.15 K

A first principle study of thermo-physical properties of RhN under high temperatures and high pressures

Study of temperature dependent elastic properties of CaO

Mechanical and physical properties of SrO-ZrO₂ modified SODA lime borosilicate glasses

Elastic and thermal properties of terbium dihydride: An ab-initio study

Development of uranium nitride crystals mathematical model for molecular dynamics simulation

Molecular dynamics simulation to determine elastic constant and bulk modulus from Mg-xZn

Molecular dynamics study of mechanical properties of Zn – xMg alloy for metal biomaterial

A critical view on the role of dynamic solubility limits and large gas contents in injection foam molding

Thermoelectric response of anti-fluoride Sr₂Ge semiconducting material: A first-principles study

Thermal transport behavior of Ni doped NdCoO₃

An investigation of bulk modulus and cohesive energy of GaP in the local density approximation

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