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First Principles Calculation of the Effect of Cu Doping on the Mechanical and Thermodynamic Properties of Au-2.0Ni Solder.

• Authors : Wei, Yan^1,2 (AUTHOR) ; Dai, Hua^1,2,3 (AUTHOR) ; Chen, Li^1,2 (AUTHOR)

Subjects: *THERMODYNAMICS; *SPECIFIC heat capacity; *LIGHTWEIGHT materials

• Source: Molecules. Sep2024, Vol. 29 Issue 17, p4171. 15p.

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First-Principles Calculation of the Folding Free Energy of a Three-Helix Bundle Protein

• Authors : Boczko, Erik M.; Brooks, Charles L.

• Source: Science, 1995 Jul . 269(5222), 393-396.

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THERMODYNAMIC MODELING OF THE Sc--Zn SYSTEM COUPLED WITH FIRST-PRINCIPLES CALCULATION.

• Authors : C. Tang^1,2; P. Zhou^1,2; Zhao, D.D.^1,2

• Source: Journal of Mining & Metallurgy. Section B: Metallurgy. 2012, Vol. 48 Issue 1, p123-130. 8p. 3 Charts, 2 Graphs.

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First Principles Calculation of the Stability of Iron Bearing Carbonates at High Pressure Conditions

• Authors : Taku Tsuchiya; Jun Tsuchiya; Risa Nishida

Subjects: Phase transition; Materials science; lcsh:Mineralogy

• Source: MineralsVolume 10Issue 1Minerals, Vol 10, Iss 1, p 54 (2020)

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Structural stabilities and thermal properties of η′-Mg2Zn5-Al2+ and η-MgZn2 phase in Al–Zn–Mg alloy: first-principles calculation and quasi-harmonic Debye approximation

• Authors : Shao Hongbang; Xiao Zhengbing; Huang Yuanchun

Subjects: lcsh:TN1-997; Materials science; First-principles

• Source: Journal of Materials Research and Technology, Vol 10, Iss, Pp 840-852 (2021)

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First-Principles Calculation for the Influence of C and O on the Mechanical Properties of γ-TiAl Alloy at High Temperature

• Authors : Yong Lu; Xiao-hong Shao; Jiahua Wang

Subjects: first-principles calculation; lcsh:TN1-997; Materials science

• Source: Metals, Vol 9, Iss 2, p 262 (2019)MetalsVolume 9Issue 2

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First-Principles Calculation of Curie Temperature Tuning in L10-Type FePt by Element Substitution of Mn, Cu, Ru, and Rh

• Authors : Yohei Kota

Subjects: Materials science; Substitution (logic); Coherent potential approximation

• Source: Journal of the Magnetics Society of Japan. 44:1-4

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First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

• Authors : Xiang-Hui Chang; Yun-Dan Gan; Wen-Guang Li

Subjects: Diffraction; Materials science; 010304 chemical physics

• Source: Journal of Molecular Modeling. 27

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Experimental study, first-principles calculation and thermodynamic modelling of the Cr–Fe–Nb–Sn–Zr quinary system for application as cladding materials in nuclear reactors

• Authors : Paul Lafaye; Caroline Toffolon-Masclet; Jean-Marc Joubert ...

Subjects: Nuclear and High Energy Physics; Materials science; assessment

• Source: Journal of Nuclear MaterialsJournal of Nuclear Materials, Elsevier, 2021, 544, pp.152692. ⟨10.1016/j.jnucmat.2020.152692⟩Journal of Nuclear Materials, 2021, 544, pp.152692.

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Correction to: First-Principles Calculation of the Air–Water Second Virial Coefficient

• Authors : Allan H. Harvey; Peter H. Huang

Subjects: Physics; Virial coefficient; Air water

• Source: International Journal of Thermophysics. 41

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