First-principles investigations on vibrational, thermodynamic, mechanical properties and thermal conductivity of L12Al3X (X = Sc, Er, Tm, Yb) intermetallics

2015 ◽  
Vol 90 (6) ◽  
pp. 065701 ◽  
Author(s):  
Xudong Zhang ◽  
Wei Jiang
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
First Principles

scholarly journals Mechanical and Thermal Conductivity Properties of Enhanced Phases in Mg-Zn-Zr System from First Principles

Materials ◽  
2018 ◽  
Vol 11 (10) ◽  
pp. 2010
Author(s):  
Shuo Wang ◽  
Yuhong Zhao ◽  
Huijun Guo ◽  
Feifei Lan ◽  
Hua Hou
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Shear Modulus ◽  
Bulk Modulus ◽  
Intermetallic Compounds ◽  
Elastic Constants ◽  
First Principles ◽  
Strengthening Phases ◽  
Zr Alloy ◽  
Zr Alloys

In this paper, the mechanical properties and minimum thermal conductivity of ZnZr, Zn2Zr, Zn2Zr3, and MgZn2 are calculated from first principles. The results show that the considered Zn-Zr intermetallic compounds are effective strengthening phases compared to MgZn2 based on the calculated elastic constants and polycrystalline bulk modulus B, shear modulus G, and Young’s modulus E. Meanwhile, the strong Zn-Zr ionic bondings in ZnZr, Zn2Zr, and Zn2Zr3 alloys lead to the characteristics of a higher modulus but lower ductility than the MgZn2 alloy. The minimum thermal conductivity of ZnZr, Zn2Zr, Zn2Zr3, and MgZn2 is 0.48, 0.67, 0.68, and 0.49 W m−1 K−1, respectively, indicating that the thermal conductivity of the Mg-Zn-Zr alloy could be improved as the precipitation of Zn atoms from the α-Mg matrix to form the considered Zn-Zr binary alloys. Based on the analysis of the directional dependence of the minimum thermal conductivity, the minimum thermal conductivity in the direction of [110] can be identified as a crucial short limit for the considered Zn-Zr intermetallic compounds in Mg-Zn-Zr alloys.

scholarly journals Borophene hydride: a stiff 2D material with high thermal conductivity and attractive optical and electronic properties

Nanoscale ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 3759-3768 ◽  
Author(s):  
Bohayra Mortazavi ◽  
Meysam Makaremi ◽  
Masoud Shahrokhi ◽  
Mostafa Raeisi ◽  
Chandra Veer Singh ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Electronic Properties ◽  
First Principles ◽  
High Thermal Conductivity ◽  
2D Material ◽  
Optical Responses ◽  
Optical And Electronic Properties

Mechanical properties, thermal conductivity, electronic and optical responses of borophene hydride, a newly synthesized 2D material are explored using the first-principles simulations.

First principles calculation of thermo-mechanical properties of thoria using Quantum ESPRESSO

2016 ◽  
Vol 05 (02) ◽  
pp. 1650008 ◽  
Author(s):  
Linu Malakkal ◽  
Barbara Szpunar ◽  
Juan Carlos Zuniga ◽  
Ravi Kiran Siripurapu ◽  
Jerzy A. Szpunar
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
First Principles ◽  
Density Functional ◽  
Local Density ◽  
Harmonic Approximation ◽  
First Principles Calculation ◽  
Thorium Dioxide ◽  
Phonon Contribution ◽  
Quantum Espresso

In this work, we have used Quantum ESPRESSO (QE), an open source first principles code, based on density-functional theory, plane waves, and pseudopotentials, along with quasi-harmonic approximation (QHA) to calculate the thermo-mechanical properties of thorium dioxide (ThO[Formula: see text]. Using Python programming language, our group developed qe-nipy-advanced, an interface to QE, which can evaluate the structural and thermo-mechanical properties of materials. We predicted the phonon contribution to thermal conductivity ([Formula: see text] using the Slack model. We performed the calculations within local density approximation (LDA) and generalized gradient approximation (GGA) with the recently proposed version for solids (PBEsol). We employed a Monkhorst-Pack [Formula: see text] k-points mesh in reciprocal space with a plane wave cut-off energy of 150 Ry to obtain the convergence of the structure. We calculated the dynamical matrices of the lattice on a [Formula: see text] mesh. We have predicted the heat capacity, thermal expansion and the phonon contribution to thermal conductivity, as a function of temperature up to 1400[Formula: see text]K, and compared them with the previous work and known experimental results.

An analysis of the transport properties and mechanical stability of rapidly solidified Al-Sb alloy

2015 ◽  
Vol 10 (2) ◽  
pp. 2663-2681
Author(s):  
Rizk El- Sayed ◽  
Mustafa Kamal ◽  
Abu-Bakr El-Bediwi ◽  
Qutaiba Rasheed Solaiman
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Melt Spinning ◽  
Elastic Moduli ◽  
Mechanical Stability ◽  
Microstructural Analysis ◽  
Alloy System ◽  
Antimony Content ◽  
The Stability ◽  
Rapidly Solidified

The structure of a series of AlSb alloys prepared by melt spinning have been studied in the as melt–spun ribbons  as a function of antimony content .The stability  of these structures has  been  related to that of the transport and mechanical properties of the alloy ribbons. Microstructural analysis was performed and it was found that only Al and AlSb phases formed for different composition.  The electrical, thermal and the stability of the mechanical properties are related indirectly through the influence of the antimony content. The results are interpreted in terms of the phase change occurring to alloy system. Electrical resistivity, thermal conductivity, elastic moduli and the values of microhardness are found to be more sensitive than the internal friction to the phase changes. 

Incorporation of Iraqi Rocks in the Production of Eco-Friendly Cement Mortar

2020 ◽  
Vol 38 (10A) ◽  
pp. 1522-1530
Author(s):  
Rawnaq S. Mahdi ◽  
Aseel B. AL-Zubidi ◽  
Hassan N. Hashim
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Compressive Strength ◽  
Water Absorption ◽  
Structural Properties ◽  
Mechanical Milling ◽  
Cement Mortar ◽  
Cement Mortars

This work reports on the incorporation of Flint and Kaolin rocks powders in the cement mortar in an attempt to improve its mechanical properties and produce an eco-friendly mortar. Flint and Kaolin powders are prepared by dry mechanical milling. The two powders are added separately to the mortars substituting cement partially. The two powders are found to improve the mechanical properties of the mortars. Hardness and compressive strength are found to increase with the increase of powders constituents in the cement mortars. In addition, the two powders affect water absorption and thermal conductivity of the mortar specimens which are desirable for construction applications. Kaolin is found to have a greater effect on the mechanical properties, water absorption, and thermal conductivity of the mortars than Flint. This behavior is discussed and analyzed based on the compositional and structural properties of the rocks powders.

A Study of Some Mechanical and Physical Properties for Palm Fiber/Polyester Composite

2020 ◽  
Vol 38 (3B) ◽  
pp. 104-114
Author(s):  
Samah M. Hussein
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Dielectric Constant ◽  
Date Palm ◽  
Volume Fraction ◽  
Unsaturated Polyester ◽  
Dielectric Strength ◽  
Palm Fiber ◽  
Mechanical And Physical Properties ◽  
Polyester Composite

This research has been done by reinforcing the matrix (unsaturated polyester) resin with natural material (date palm fiber (DPF)). The fibers were exposure to alkali treatment before reinforcement. The samples have been prepared by using hand lay-up technique with fiber volume fraction of (10%, 20% and 30%). After preparation of the mechanical and physical properties have been studied such as, compression, flexural, impact strength, thermal conductivity, Dielectric constant and dielectric strength. The polyester composite reinforced with date palm fiber at volume fraction (10% and 20%) has good mechanical properties rather than pure unsaturated polyester material, while the composite reinforced with 30% Vf present poor mechanical properties. Thermal conductivity results indicated insulator composite behavior. The effect of present fiber polar group induces of decreasing in dielectric strength, and increasing dielectric constant. The reinforcement composite 20% Vf showed the best results in mechanical, thermal and electrical properties.

BRUSH ALLOY 3

Alloy Digest ◽  
1983 ◽  
Vol 32 (3) ◽  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Corrosion Resistance ◽  
Physical Properties ◽  
Copper Alloy ◽  
Elevated Temperatures ◽  
Physical And Mechanical Properties ◽  
Heat Treating ◽  
Good Resistance ◽  
Good Corrosion Resistance

Abstract BRUSH Alloy 3 offers the highest electrical and thermal conductivity of any beryllium-copper alloy. It possesses an excellent combination of moderate strength, good corrosion resistance and good resistance to moderately elevated temperatures. Because of its unique physical and mechanical properties, Brush Alloy 3 finds widespread use in welding applications (RWMA Class 3), current-carrying springs, switch and instrument parts and similar components. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties as well as fatigue. It also includes information on corrosion resistance as well as casting, forming, heat treating, machining, joining, and surface treatment. Filing Code: Cu-454. Producer or source: Brush Wellman Inc..

850.0 and 852.0 ALUMINUM ALLOY BEARING BARS

Alloy Digest ◽  
1988 ◽  
Vol 37 (9) ◽  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Corrosion Resistance ◽  
Aluminum Alloy ◽  
Heat Treating ◽  
Light Metal ◽  
General Purpose ◽  
High Ductility ◽  
Higher Temperature ◽  
Bearing Alloy

Abstract 850.0 ALUMINUM Alloy can be considered the general purpose light metal bearing alloy. Its good thermal conductivity keeps operating temperatures low. It has high ductility. In many applications it has been found to be superior to steel backed bearings. 852.0 ALUMINUM Alloy has higher mechanical properties making it suitable for heavier load and higher temperature applications. This datasheet provides information on composition, physical properties, hardness, elasticity, tensile properties, and shear strength. It also includes information on corrosion resistance as well as heat treating and machining. Filing Code: Al-290. Producer or source: Federated Bronze Products Inc..

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