D.-Q. Yi’s research while affiliated with Central South University and other places

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Publications (136)


Recrystallization and mechanical properties of cold-rolled FeCrAl alloy during annealing
  • Article

April 2020

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89 Reads

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24 Citations

Journal of Iron and Steel Research International

Xiao-long Liang

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Qian-fu Pan

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Dan-qing Yi

The effect of cold rolling and annealing on the microstructure and properties of an Fe–13Cr–4.5Al–2.2Mo–1.1Nb alloy was investigated. The results showed that the recrystallization rate increased with increasing annealing temperature and rolling reduction. Recrystallization kinetics was constructed based on Johnson–Mehl–Avrami–Kolmogorov equation. The apparent activation energies of recrystallization were 161.385, 144.770, and 95.362 kJ/mol for the samples with 30%, 50%, and 70% cold-rolling reduction, respectively. With the cold-rolling reduction increasing, the texture γ fiber partly changed to 〈100〉//ND. After annealing, γ fiber of the alloy with 30% thickness reduction retained, the subgrains disappeared through merging, and the proportion of coincident site lattice grain boundaries increased and became more continuous. 30% cold-rolling reduction alloy annealed at 730 °C for 120 min not only possessed relatively high yield strength (YS) of ~ 730 MPa and ultimate tensile strength (UTS) of ~ 880 MPa, but also exhibited elongation of ~ 16% at room temperature. After annealing at 730 °C for 120 min, 70% cold-rolled alloy has finer and more uniform grain, with higher elongation of ~ 22%, YS of ~ 615 MPa and UTS of ~ 774 MPa. The mechanism of mechanical properties difference was explained according to Schmid factor analysis. These results provided an effective way for tuning strength and ductility of FeCrAl alloy.


Activity and solubility of alloying elements in Mo

January 2019

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28 Reads

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2 Citations

The Chinese Journal of Nonferrous Metals

The activity and solubility of alloying elements in Mo were investigated by using Miedema's model and its related physical parameters, and these results were compared with the results predicted by the first-principle calculations and other's empirical approach. These results show that the activity of alloying elements in Mo increases with the increasing temperature and alloying concentration. Under the same concentrations, the activities of main group elements Ge, Al and Si in Mo are small, and the activities of transition elements Ti, Hf, Nb, Zr, and Re are relatively large, which the latter should be chosen as the main alloying elements of Mo-based alloys. The solubility results also point out that the solubility of alloying element in Mo is influenced by atomic size factor, electron density factor, and electronegativity factor. And the solution heat of alloying elements in Mo is a comprehensive reflection of the last two factors. Furthermore, Miedema-Alonso plot was established by using the solution heat of alloying elements in Mo and atomic size parameters as the horizontal and vertical coordinates, respectively. It is found that the alloying element, which its atomic difference from Mo is smaller than 15% and its solution heat in Mo lies in the rang from -20 to 20 kJ/mol always has large respectively solubility limit in Mo.


Enhanced Wear Resistance of Ni/h-BN Composites with Graphene Addition Produced by Spark Plasma Sintering

November 2018

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48 Reads

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7 Citations

Acta Metallurgica Sinica (English Letters)

Ni-based self-lubricating composites containing a fixed amount of hexagonal boron nitride (h-BN) (5 wt%) and different amounts of graphene (0–1.5 wt%) were prepared by ultrasonic dispersion, high-energy ball milling, and spark plasma sintering. The effects of the graphene content on the physical, mechanical, and wear properties of the Ni/h-BN composites were evaluated. These properties were first enhanced with increasing graphene content, reaching optimal behavior for a graphene content of 1 wt%, and then degraded with further graphene addition. Compared to the pure Ni/h-BN composite, the relative density, hardness, and bending strength of the composite with 1 wt% graphene increased by 2.7%, 7.4%, and 6.3%, respectively, while the friction coefficient decreased by 56% to 0.31, and a reduction in wear rate by a factor of 5–15 was observed. The mechanism for improving the wear properties of the composite with added graphene was due to the formation of a graphene lubricating film on the worn surface, which increased the load bearing capacity of the surface and enhanced lubrication during wear.


First-principles investigation of activity and solubility of Si in Mo solid solution
  • Article
  • Publisher preview available

October 2018

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52 Reads

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4 Citations

The activity and solubility of Si in Mo solid solution were studied by the first-principles calculations and quasi-harmonic approximation. The lattice constants, bulk modulus, and formation enthalpies of Mo-Si intermetallics were investigated, and the thermodynamic properties of Mo were also calculated. The Si activity coefficient γSi is approximately 10−16 at 100 K, while it increases by about 15 orders of magnitude over the investigated temperature range (100–2000 K). It is clear that Si activity coefficient in Mo solid solution increased rapidly with the increasing temperature, which should be ascribed to the Si–Mo interaction being evidently stronger than Mo–Mo interaction. According to the calculated thermodynamic properties, the solubility curve of Si in Mo solid solution was also predicted. The solubility limit of Si in Mo solid solution is ∼5.5 at.%, which agrees well with the other experiment and assessed results.

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First principles investigation of the surface stability and equilibrium morphology of MoO3

October 2018

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36 Reads

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29 Citations

Applied Surface Science

The surface stability and equilibrium morphology of MoO3 were investigated by the first principles calculations. The thermodynamic energies of the stoichiometric surfaces of MoO3 are in the order (0 1 0) < (1 0 1) < (0 0 1) < (1 0 0). It is found that the (0 1 0) surface has a lowest surface energy, which agrees well with the previous calculations. The energies of the non-stoichiometric surfaces were evaluated as functions of temperature and oxygen partial pressure. The results show that the energies of Mo-terminated surfaces decrease with temperatures, and increase with oxygen partial pressures, while the energies of O-terminated surfaces show the opposite rule. The equilibrium morphology of MoO3 was predicted by using the Gibbs-Wulff model, and then was compared with the other's experiments and theoretical results.


Superhydrophobic coating on heat-resistant steel surface fabricated by a facile method

September 2018

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87 Reads

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7 Citations

Journal of Iron and Steel Research International

Industrial application of superhydrophobic surfaces is often hindered by complicated process and sophisticated machines. A facile wet etching method (sandblast, HCl and sandblast/HCl) with vapor deposition of PFDS (1H, 1H, 2H, 2H-perfluorodecyltriethoxysilane) was applied to fabricate superhydrophobic surface of heat-resistant steel used for vane. The coating component, surface morphology and surface roughness parameters of sample were observed by attenuated total reflectance Fourier transform infrared spectroscopy, scanning electron microscopy and atomic force microscopy. Static water contact angle (WCA) of samples with and without PFDS coating was measured by contact angle goniometer. The results showed that WCA values of polished, sandblast, HCl and sandblast/HCl-etched samples are 98°, 97°, 100° and 101°, respectively, and increase to 112°, 148°, 151° and 154° after vapor deposition of PFDS. The sandblast/HCl-etched sample with PFDS coating shows higher superhydrophobicity because of very large surface roughness and lotus protrusion-like structure. The superhydrophobicity of this fabricated surface has no obvious change after 38 cycles of the film adhesion test, indicating excellent durability.


Effects of carbon content on the original particle boundary and mechanical properties of HIP FGH4169 alloy

August 2018

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3 Reads

Fenmo Yejin Cailiao Kexue yu Gongcheng/Materials Science and Engineering of Powder Metallurgy

Three types of FGH4169 alloy with carbon mass fraction of 0.026%, 0.045% and 0.078% were prepared by hot-isostatic pressing (As-HIP) and heat treatment. The effects of carbon content on the original particle boundary (PPB) and mechanical properties of FGH4169 alloy were investigated. The results show that, with the carbon content increases from 0.026% to 0.078%, the precipitated carbide of FGH4169 alloy increases, and when the carbon content exceeds 0.078%, the PPB formed. The carbides in FGH4169 alloy are mainly MC type carbides rich in Ti and Nb, and the carbon content has no obvious effect on the type and morphology of carbides in FGH4169 alloy; Within a certain range of the C content, as the C content increases, the amount of γ″ phase precipitated in the FGH4169 alloy matrix decreases, and the carbides tend to aggregate at the PPB, resulting in the strength and plasticity gradually decreasing under room temperature and 650 ℃. © 2018, Editorial Office of Materials Science and Engineering of Powder Metallurgy. All right reserved.


Study on Complex Heterogeneous Nucleation of Primary Silicon in Hypereutectic Al-Si Alloy

April 2018

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7 Reads

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1 Citation

Zhuzao/Foundry

The primary silicon phase in the hypereutectic Al-Si alloy was refined by phosphorus modification, and various kinds of particles existing in the industrial melt were studied. The results show that there are heterogeneous particles(AlP and SiO 2 )and complex heterogeneous particles[AlP/SiO 2 and AlP/ (AI 2 O 3 +SiO 2 )] in the melt, which provides the solid phase substrate for the nucleation of the primary silicon phase.In the casting process, the variety of roles by heterogeneous nucleation needs to be taken into account. © 2018, Chinese Mechanical Engineering Society. All right reserved.


Microstructures and Mechanical Properties of Inconel 718 Alloy at Ultralow Temperatures

April 2018

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41 Reads

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8 Citations

Journal of Materials Engineering and Performance

The microstructures and mechanical properties of powder metallurgy Inconel 718 alloy were investigated in the temperatures range between 25 and − 253 °C. Tensile strength increased with the decrease in temperature, while the ductility first increased and then decreased. There was no significant change in impact toughness. When the temperature was − 253 °C, a zigzag stress–strain curve was observed for the alloy, owing to the interaction of dislocation glide and twinning, which effectively maintained the relatively good ductility.


Segregation structures and Wsep for Ag and S on (a) the Al-rich and (b) the stoichiometric interfaces. Here Cu, Al, O, S, and Ag are represented in blue, green, red, yellow, and gray, respectively. The dashed lines denote the places where the interfaces separate. (c) The work of separation Wsep as a function of interface coverage for both interfaces. Here, the full monolayer (ML) coverage is defined as 3 Cu atoms per interfacial layer in unit cell. The lines are to guide the eyes
Valence electron density contours (in unit of e Å⁻³). (a) The clean Al-rich interface showing the metallic bonding between the Cu and the extra Al. (b) The Al-rich interface containing segregated S (SI) at 1/3 ML coverage. (c) The Al-rich interface containing segregated Ag (AgCu) at 1/3 ML coverage. (d) The clean stoichiometric interface showing the Cu–O bonds with each Cu atop each O. (e) The stoichiometric interface containing segregated S (SI) at 1/3 ML coverage. Note the S pushes the Cu and O apart, weakening those bonds, and a relatively weak S–Al/S–O bond is created. (f) The stoichiometric interface containing segregated Ag (AgI) at 1/3 ML coverage. The dash-dotted lines at the bottom correspond to the positions of the contour planes in top views
Segregation structures and Wsep for Ag (a) and S (b) on low-Σ STGBs (Σ ≤ 11) of Cu. Blue and cambridge blue spheres denote atoms on different (110) planes for the 〈110〉 tilt GBs and (100) planes for the 〈100〉 tilt GBs
Valence electron density contours of Σ9(221)[110] GBs (in unit of e Å⁻³): (a) and (d) the clean GB, (b) substitutional Ag (AgCu), (c) substitutional S (SCu), (e) interstitial Ag (AgI), (f) interstitial S (SI)
Interfacial site occupation versus segregation energy for Ag and S, (a) interface (b) grain boundary as calculated from Mclean's equation for bulk concentrations of CAg = 1 at% and CS = 100 appm, under T = 1000 K
Alloying effects of Ag on grain boundaries and alumina interfaces in copper: A first principles prediction

October 2017

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87 Reads

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3 Citations

The mechanical properties of oxide dispersion-strengthened copper are largely dictated by its internal interfaces, i.e. the oxide interfaces and the grain boundaries (GBs). Here we present a systematic first-principles study for evaluating the potential impact of Ag alloying on adhesion of Cu/α-Al2O3 interfaces and Cu grain boundaries as well. The results suggest that, in contrast to the strong segregation of S that is always detrimental, Ag only slightly segregates to the Al2O3 interfaces, strengthens the weak stoichiometric interface, and slightly weakens the strong Al-rich interface. Ag cannot pin S inside the matrix. The co-segregation of Ag with S modestly negates the detrimental influence of S on adhesion, but can hardly occur. Ag segregation to most of the GBs is found also to be weak, and reduces the adhesion slightly. The only one exception is on the Σ9 GB. Based on the gained insights, we suggest that Ag alloying has only limited benefits but can still be encouraged.


Citations (47)


... The above results demonstrated that the corrosion rate of the copper-aluminum laminated composite plate was greatly affected by temperature. According to the Nernst equation, as shown in Equation (1), the activity of the reducing ion was proportional to the temperature; therefore, it was readily understood that the corrosion rate would increase when the Cl − activity was promoted by a higher temperature [25]. However, the corrosion rate decreased instead of increasing at 50 °C, ...

Reference:

Effect of Temperature on the Corrosion Behavior and Corrosion Resistance of Copper–Aluminum Laminated Composite Plate
Activity and solubility of alloying elements in Mo
  • Citing Article
  • January 2019

The Chinese Journal of Nonferrous Metals

... When the load is larger, a greater reduction in COF is observed. A similar trend has been reported on graphene nanoplatelets coatings [35], multilayer graphene coating [76] and graphene-based composites coating [77,78]. To better understand this phenomenon, we turn to the frictional and self-lubricating property of similar material, graphite. ...

Enhanced Wear Resistance of Ni/h-BN Composites with Graphene Addition Produced by Spark Plasma Sintering
  • Citing Article
  • November 2018

Acta Metallurgica Sinica (English Letters)

... However, the alloying influences on the mechanical behaviors of Mo3Si are still limited, especially these neighboring elements of silicon in the periodic table. Only these lattice constants [20] and some thermodynamic properties [20,21] of Mo3Si have been investigated using first-principles calculations. This work analyzed the elastic properties of Mo3Si alloyed with different concentrations of Cr, Nb, V, W, Al, Ga, and Ge from first-principles calculations. ...

First-principles investigation of activity and solubility of Si in Mo solid solution

... While CuSCN has a more compact 3D crystal structure [33], that potentially hindered charge migration. Experimentally it is seen that MoO 3 (1 0 0) has higher surface energy (γ = 0.522 J/ m 2 ) [34] as compared to CuSCN (around 0.49 J/m 2 for the DMSOcovered (1 0 0) surface and 0.39 J/m 2 for the DMSO-covered (1 1 0) surface) [35], which also enhanced the interaction of KGeCl 3 with MoO 3 . Additionally, MoO 3 has higher chemical sustainability, valence band maximum, and hole mobility (µ = 10 − 2 cm 2 /Vs) as compared to CuSCN (µ = 10 − 2 cm 2 /Vs) [36]. ...

First principles investigation of the surface stability and equilibrium morphology of MoO3
  • Citing Article
  • October 2018

Applied Surface Science

... A hydrophobic surface with excellent water repellency can effectively reduce the contact of corrosive media and microorganisms with the substrate material, which is one of the most effective means for improving metal corrosion resistance [10][11][12][13]. It is known that the construction of micro-nano structures of an appropriate size and the modification of low surface energy are the two most commonly used methods for preparing hydrophobic surfaces [14][15][16]. ...

Superhydrophobic coating on heat-resistant steel surface fabricated by a facile method
  • Citing Article
  • September 2018

Journal of Iron and Steel Research International

... Similar to diamond tools, the performance of cemented carbide brazing tools primarily depends on the bonding performance between the cemented carbide and the steel matrix [5]. Inconel 718 superalloys exhibit excellent comprehensive properties in the temperature range of − 253-650 °C, including outstanding corrosion resistance, radiation resistance, and fatigue resistance [6]. Achieving brazed connections between cemented carbide and superalloy can not only produce drilling and mining tools with high strength, hardness, and wear resistance but also meet the requirements of extreme working environments. ...

Microstructures and Mechanical Properties of Inconel 718 Alloy at Ultralow Temperatures
  • Citing Article
  • April 2018

Journal of Materials Engineering and Performance

... Powder metallurgy (PM) Ni-based superalloys with working temperature up to 750 • C are ideal materials for turbine disk in the advanced aero-engine [1,2]. Prior particle boundary (PPB) is one of the defects of PM alloys, which has serious effects on the performance of PM parts at high temperatures [3][4][5][6]. Prakash et al. [7] investigated the microstructure and mechanical properties of PM Ni-based superalloy APK-1 and found that the existence of PPB network is detrimental to mechanical properties. Zhou et al. [8] investigated the influences of different grades of PPB in PM FGH96 superalloy during high-cycle fatigue test at 550 • C and found that the presence of PPB reduces the fracture toughness of superalloy. ...

Effects of powder oxygen content on mechanical properties and microstructure of FGH4169 alloy
  • Citing Article
  • February 2017

Fenmo Yejin Cailiao Kexue yu Gongcheng/Materials Science and Engineering of Powder Metallurgy

... In titanium alloys, a lamellar colony microstructure, typically found in cast products, provides enhanced resistance to crack growth [29,30]. A study reported in [31] concluded that the FCGR of conventionally manufactured Ti6242 decreased with a reduction in the volume fraction of the primary α phase (αp). An increase in α lath width and the presence of secondary α phase (α s ) after heat treatment resulted in crack path deflections, reducing the crack growth rates. ...

Effect of α phase on fatigue crack growth of Ti-6242 alloy
  • Citing Article
  • August 2017

Journal of Iron and Steel Research International

... In case of laser AM, Qin et al. [157] have combined SLM and Laser direct metal manufacturing (LDM) methods for hybrid manufacturing of the Ti-6Al-4V alloy. As per the literature [158], LDM-manufactured Ti-6Al-4V has an (aþb) microstructure, whereas SLM-produced Ti-6Al-4V contains an acicular martensite phase [159,160]. However, both methods result in a combination of high strength and low ductility, as is also evident from other studies [160e162], which is not ideal for applications. ...

Effect of the heat treatment process on microstructure and mechanical properties of the TC4 alloy processed by selective laser melting
  • Citing Article
  • February 2017

Fenmo Yejin Cailiao Kexue yu Gongcheng/Materials Science and Engineering of Powder Metallurgy

... Similar to alloying, the existence of point defects in the lattice is also expected to assist plasticity, however, to the best of our knowledge, this has not yet been demonstrated experimentally. Using DFT calculations, Pan et al. [15,16] and Sun et al. [37] have predicted that in MoSi 2 and NbSi 2 lattice vacancies lead to an increase of the Pugh ratio (ratio between bulk modulus B and shear modulus G) and, as a consequence, are expected to improve plasticity [38]. Furthermore, crystal plasticity can be enabled by the stacking faults [39,40], which were observed in our films (Fig. 6a-c). ...

The effect of point defect on mechanical properties of MoSi2