Yi Liu

Yi Liu
Shanghai University | SHU

Doctor of Philosophy

About

25
Publications
1,611
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228
Citations
Introduction
Prof. Yi LIU obtained a Ph. D. degree at Materials Science and Engineering at Institute of Metal Research in China in 1997. Then he had worked as a postdoctor or senior researcher in the field of computational materials science at Nagoya University, Japan (1997-2002); Juelich Research Center, Germany (2002-2003); University of Western Ontario, Canada (2003-2005); California Institute of Technology, US (2006-2012). Now he is a professor at Materials Genome Institute, Shanghai University, China.

Publications

Publications (25)
Article
Full-text available
Accelerated development of hard high-entropy alloys with data-driven high-throughput experiments. J Mater Inf 2022;2:3. https://dx. Abstract The development of multicomponent alloys with target properties poses a significant challenge, owing to the enormous number of potential component combinations, high costs and the inefficiency of conventional...
Article
Full-text available
Dirac materials possess many excellent electrical properties, resulting that the search and design of Dirac materials have become a hot research area. Revealing the formation conditions of Dirac cone (DC) can provide theoretical guidance for the search and design of Dirac materials. To obtain the necessary conditions for the formation of DC of two-...
Article
Full-text available
The development of Ni-based single crystal superalloys relies heavily on the composition design with the addition of critical alloying elements, e.g., Re and Ru. Understanding the role of alloying effects require to know the configurations of the alloying element distribution between γ-Ni and γ′-Ni3Al phases and among various non-equivalent sites....
Article
The synthesis of carbyne has remained an elusive goal for decades. One of the significant reasons is that high-purity and high-concentration hydrogen end-capped polyynes (C2nH2) as the most important model molecule and precursors for carbyne have been not widely prepared. Herein, we develop a facile and universal strategy to obtain high-purity and...
Article
Polyynes and polyyne-based one-dimensional nanostructures are promising for several applications including ultra-compact circuits and electro-optical devices. A carbon arc in water is a simple method for synthesis of carbon nanostructure. Here we collected and analyzed the gas generated by a carbon arc in water, and unequivocally proved for the fir...
Article
The Dirac cone (DC) band structure of graphene was thought to be unique to the hexagonal symmetry of its honeycomb lattice. However, the two-dimensional (2D) materials possessing rectangle unit cells, e.g. unitary 6,6,12-graphyne and binary t1/t2-SiC, were also found to have DC band features. In this work, a “mirror symmetry parity coupling (MSPC)”...
Article
Full-text available
To understand the atomistic mechanisms of tension failure of Ni-based superalloy, in this study, the classical molecular dynamics (MD) simulations were used to study the uniaxial tension processes of both the Ni/Ni3Al interface systems and the pure Ni and Ni3Al systems. To examine the effects of interatomic potentials, we adopted embedded atom meth...
Article
Multi-walled Carbon nanowires (MWCNWs) made of long linear carbon chains inside multi-walled carbon nanotubes ([email protected]) have been successfully prepared by magnetic field enhanced hydrogen arc discharge. It has been found that introducing a static magnetic field into the conventional hydrogen arc discharge method can not only improve the g...
Article
Fe2Si nanoparticles attached single-walled carbon nanotubes (Fe2Si-SWCNTs) have been mass produced by a direct current arc discharge in H2/Ar. The Fe2Si-SWCNTs nanocomposites with different Si-Fe ingredient atomic ratios have a network nanostructure and provide good electrical conductivity and impedance matching. The relative complex permittivity a...
Article
Arc discharge method with Fe catalyst was used to prepare single-wall carbon nanotubes (SWCNTs) and there are an amount of iron nanoparticles formed tightly on SWCNTs. Nanometer iron oxide anchored to SWCNT composite (AO-Fe-SWCNTs) was obtained in situ by oxidizing the above as-grown SWCNTs (As-Fe-SWCNTs) in air at 375C. AO-Fe-SWCNTs exhibited an...
Article
Polyynes were synthesized by arc discharge between two copper electrodes in alkanes for the first time. The as-grown polyyne samples were separated through high-performance liquid chromatography and the size-selected polyynes C2nH2 (n = 4–6) were investigated by surface-enhanced Raman scattering spectroscopy. The formation rate of polyynes has been...
Article
Full-text available
The titanium carbide nanoparticles attached single-walled carbon nanotubes (TiC-SWCNTs) were mass-produced by an argon–hydrogen direct current arc discharge method using TiO2 and Fe added carbon rod as anode. The composites of TiC-SWCNTs in the paraffin matrix were investigated in the frequency range of 2–18 GHz by a vector network analyzer. The el...
Article
Long linear carbon chain with sp hybridization inside multi-walled carbon nanotubes (LLCC@MWCNTs) can be prepared in the cathode deposits obtained by hydrogen arc discharge. In this work, a cooling system was introduced into the hydrogen arc discharge method to improve the growth yield of LLCC@MWCNTs samples, indicated by the stronger Raman peaks b...
Article
The electromagnetism and microwave absorption properties were investigated in the frequency range of 2–18 GHz for the nanocomposites NiCo-SWCNTs/CoFe2O4 consisting of Ni-Co attached single-walled carbon nanotubes (NiCo-SWCNTs) and CoFe2O4 nanocrystals with different ingredient weight ratios. NiCo-SWCNTs were mass-produced by a direct current arc di...
Article
Polyyne samples C2nH2 (n=4-6) were synthesized by irradiating single-wall carbon nanotubes in methanol with intense femtosecond laser pulses. For obtaining isolated polyynes (C8H2, C10H2, and C12H2), the original solution was separated by high performance liquid chromatography. The surface-enhanced Raman scattering spectra of isolated polyynes in A...
Article
SiC nanowires were fabricated by heat-treating a graphene/Si configuration without using catalyst. This configuration was obtained by depositing few-layer graphene powders on Si (111) wafer using arc discharge method. The coverage rate of graphene on Si substrate can be controlled by arc discharge duration. The micro morphology observation and spec...
Article
Three different sizes of ligands have been employed to build PAMAM dendrimer-gold complex systems via PAMAM dendrimer entrapping. Classical molecular dynamics simulations are carried out to systematically investigate interactions between PAMAM dendrimers and gold nanoparticles (Au NPs), which were initially encapsulated inside PEG-cored PAMAM dendr...
Article
Due to their unique shape memory effect and superelasticity, NiTi shape memory alloys have been considered for a wide range of biomedical applications. However, they are still controversial because of the potential toxic, carcinogenic and allergic effects caused by Ni2 + release for a long term use. Wrapping protective layers with good flexibility...
Article
Due to the diversified atomic structures and electronic properties, two-dimensional monolayer nanocarbon materials (graphyne or graphdiyne) composed of sp and sp² hybridization C atoms have received the widespread attention in recent years. The fundamental questions include how the sp orbital hybridization affects the electronic structure of graphy...
Article
The microstructures of fluorinated polyurethanes (FPUs) possess separated soft and hard phases related to their unique mechanical and physiochemical properties. We studied the microstructures of FPUs and H-bond interactions focusing on the influences of fluorine (F) content on the separation between the soft and hard phases by combining experimenta...
Article
Full-text available
The nanocomposites, consisting of BaFe12O19 ferrite and few-layer graphene sheets (FL-GSs) in various weight ratios (1−9 wt. %), were fabricated by a mechanical mixing method. The high-crystalline FL-GSs were prepared by direct current arc discharge evaporation of pure graphite electrodes in an H2–Ar gas mixture. We measured the electromagnetic pr...
Article
Full-text available
We carried out all atomistic molecular dynamics simulations on poly( amidoamine) (PAMAM) dendrimer-based drug-delivery systems where PAMAMs bind non-covalently with four types of anticancer drug molecules including CE6, DOX, MTX, and SN38, respectively. We focus on the study of binding strength, size, and drug diffusion behavior of the complex syst...

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