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Molecular dynamics investigation of mechanical properties of single-layer phagraphene

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Frontiers of Structural and Civil Engineering 2019年第2期13卷 495-503页

作者： ali Hossein nezhad SHIRAZI Institute of Structural Mechanics Bauhaus-Universitat WeimarWeimarGermany

Phagraphene is a very attractive two-dimensional (2D) full carbon allotrope with very interesting mechanical, electronic, optical, and thermal properties. The objective of this study is to investigate the mechanical properties of this new graphene like 2D material. In this work, mechanical properties of phagraphene have been studied not only in the defect-free form, but also with the critical defect of line cracks, using the classical molecular dynamics simulations. Our study shows that the pristine phagraphene in zigzag direction experience a ductile behavior under uniaxial tensile loading and the nanosheet in this direction are less sensitive to temperature changes as compared to the armchair direction. We studied different crack lengths to explore the in fluence of defects on the mechanical properties of phagraphene. We also investigated the temperature effect on the mechanical properties of pristine and defective phagraphene. Our classical atomistic simulation results confirm that larger cracks can reduce the strength of the phagraphene. Moreover, it was shown the temperature has a considerable weakening effect on the tensile strength of phagraphene. The results of this study may be useful for the design of nano-devices using the phagraphene.

关键词： phaqraphene mechanical properties crack propagation molecular dynamics thermal effects

Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets:A molecular dynamics investigation

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Frontiers of Structural and Civil Engineering 2020年第3期14卷 623-631页

作者： Mohammad SALAVATI Arvin MOJAHEDIN ali Hossein nezhad SHIRAZI Institute of Structural Mechanics Bauhaus-Universitat WeimarWeimar D-99423Germany

ABSTRACT In this work we conducted classical molecular dynamics(MD)simulation to investigate the mechanical characteristics and failure mechanism of hexagonal boron-nitride(h-BN)*** and defective structure of h-BN nanosheets were considered under the uniaxial tensile loadings at various *** defective structure contains three types of the most common initial defects in engineering materials that are known as cracks,notches(with various length/size),and point vacancy defects(with a wide range of concentration).MD simulation results demonstrate a high load-bearing capacity of extremely defective(amorphized)h-BN *** results also reveal that the tensile strength decline by increasing the defect content and temperature as *** MD results provide a comprehensive and useful vision concerning the mechanical properties ofh-BN nanosheets with/without defects,which is very critical for the designing of nanodevices exploiting the exceptional physics of h-BN.

关键词： hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics

Ni/Al LDH纳米粒子改性的陶瓷碳电极对甲醇和乙醇电催化氧化性能(英文)

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催化学报 2012年第11期33卷 1809-1816页

作者： Ghasem KARIM-nezhad Sara PASHAZADEH ali PASHAZADEH Department of Chemistry Payame Noor UniversityPO Box 19395-3697TehranIran

A Ni/Al layered double hydroxide(LDH) nanoparticle modified carbon ceramic electrode(Ni/Al LDH/NMCC) was fabricated and used for the electrocatalytic oxidation of methanol and ethanol in alkaline *** voltammetric(CV) studies showed that it gave a significantly higher activity for methanol and ethanol oxidation and can be used as an electrocatalytic anode for fuel *** kinetic parameters of the electron transfer coefficient(α) and number of electrons involved in the rate determining step(nα) for the oxidation of methanol and ethanol were determined using *** anodic currents showed a linear dependence on the concentration of methanol and ethanol.

关键词： LFCO XRD 化学化学动力学

Identification of a novel nonsense mutation in kyphoscoliosis peptidase gene in an Iranian patient with myofibrillar myopathy

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Genes & Diseases 2018年第4期5卷 331-334页

作者： Reza Ebrahimzadeh-Vesal Atieh Teymoori ali Mohammad Dourandish Mohsen Azimi-nezhad Department of Basic Medical Sciences Neyshabur University of Medical SciencesNeyshaburIran Department of Medical Genetics School of MedicineGolestan University of Medical SciencesGorganIran Medical Genetics Counseling Center NeyshaburIran Department of Medical Genetics School of MedicineMashhad University of Medical SciencesMashhadIran

Myofibrillar myopathies(MFMs)are rare genetic and slowly progressive neuromuscular *** pathogenic mutations have been reported in MFM-related genes including DES,CRYAB,MYOT,LDB3 or ZASP,FLNC,BAG3,FHL1 and *** MFMs is commonly inherited in an autosomal dominant manner,the inheritance pattern and novel mutated genes are not thoroughly elucidated in some ***,we report discovery of a novel nonsense mutation in a 29-year-old Iranian male patient with motor disorders and deformity in his lower *** parents are second *** Motor Sensory Neuropathy as initial genetic diagnosis was ruled *** exome sequencing using NGS on Illumina Hi-Seq4000 platform was performed to identify the disease and possible mutated gene(s).Our data analysis identified a homozygous nonsense unreported c.C415T(p.R139X)variant on kyphoscoliosis peptidase(KY)gene(NM_178554:exon4).Sanger sequencing of this mutation has been performed for his other related family *** and segregation analysis was confirmed the NGS results and autosomal recessive inheritance pattern of the disease.

关键词： Kyphoscoliosis peptidase gene Myofibrillar myopathy Next generation sequencing Novel mutation Rare genetic neuromuscular disorders

双辊铸轧参数对AA5083-H321板材显微组织与力学性能的影响（英文）

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Transactions of Nonferrous Metals Society of China 2016年第10期26卷 2552-2560页

作者： A.HOSEINIFAR S.SALARI M.SOLTAN ali nezhad Department of Materials Science and Engineering School of Engineering Shiraz University Department of Mining and Metallurgical Engineering Amirkabir University of Technology Metallurgical and Materials Engineering Department Faculty of EngineeringFerdowsi University of Mashhad

研究双辊铸轧和冷轧AA5083铝合金在H321应变硬化态下的显微组织和力学性能。通过15°倾斜后双辊铸轧机在490 mm/min铸造速度下制备厚8.90 mm、宽1260 mm厚板,板材表面完好。经520°C均匀化处理后,材料冷轧至6.30 mm和3.85 mm两种厚度的... 详细信息

研究双辊铸轧和冷轧AA5083铝合金在H321应变硬化态下的显微组织和力学性能。通过15°倾斜后双辊铸轧机在490 mm/min铸造速度下制备厚8.90 mm、宽1260 mm厚板,板材表面完好。经520°C均匀化处理后,材料冷轧至6.30 mm和3.85 mm两种厚度的板材,并在370°C进行中间退火和180°C进行稳定化退火。光学显微镜和扫描电子显微镜研究表明金属间化合物颗粒主要聚集在晶界处,这也是拉伸断口中晶粒剥离的原因。另外,力学性能研究表明,经过均匀化处理后,晶界偏聚消除,合金的伸长率得到提高。由于在冷轧阶段得到足够大的压下量,3.85 mm厚板的性能符合ASTM B 290M标准的H321态性能。

关键词： AA5083铝合金双辊铸轧冷轧 H321 应变硬化态

Coagulase gene polymorphism of Staphylococcus aureus isolates: A study on dairy food products and other foods in Tehran, Iran

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Food Science and Human Wellness 2016年第4期5卷 186-190页

作者： Mohammad Mehdi Soltan Dallal Mohammad Reza Khoramizadeh Solmaz Agha Amiri ali Akbar Saboor Yaraghi Ramin Mazaheri nezhad Fard Division of Food Microbiology Department of PathobiologySchool of Public HealthTehran University of Medical SciencesTehranIran Food Microbiology Research Center Tehran University of Medical SciencesTehranIran Department of Medical Biotechnology School of Advanced Technologies in MedicineIran Biosensor Research Center Endocrinology and Metabolism Cellular and Molecular Science InstituteTehran University of Medical SciencesIran Division of Immunology Department of PathobiologySchool of Public HealthTehran University of Medical SciencesTehranIran

Coagulase is considered as a major determinant factor for the identification of Staphylococcus aureus *** 3-end coding region of the coagulase(coa)gene contains a series of 81-bp tandem repeats,which differ in the number and location of enzymatic restriction sites among different *** PCR-RFLP has been used widely to type *** isolates in epidemiological *** current study was conducted to investigate the coagulase gene polymorphisms in *** isolated from various food samples using an in house PCR-RFLP method.A total of 100 strains of *** were isolated from food *** were typed by PCR-RFLP analysis using NdeI restriction digestion of the coagulase gene PCR *** showed that amplification of coagulase genes from *** produced different PCR *** isolates were grouped into 18 genotypes using RFLP analysis results of the *** this study,the *** isolates have been shown to include more than one coagulase genotype,but only had a few coa genotypes predominated.

关键词： Staphylococcus aureus PCR-RFLP Coagulase gene Food samples