Article
Engineering, Mechanical
Kun Cai, Puwei Wu, Jiao Shi, Zheng Zhong, Yingyan Zhang
Summary: Rotary nanomotors are essential components in nanomachines. This study proposes a carbon nanotube (CNT)-based nanomotor driven by two methods: inwardly radial deviation (IRD) atoms and rotating electric field (REF). Molecular dynamic simulations show that the stable rotational frequency (SRF) of the rotor depends on factors such as blade size, REF frequency, and IRD atom number.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Chemistry, Physical
Ferlin Robinson, Chulwoo Park, Minsun Kim, Daejoong Kim
Summary: This study investigates the effect of deformation induced by different defects along the length of carbon nanotube on water transport. The presence of defects hinders the smooth and nearly frictionless flow of water inside the nanotube. Local deformation induced by the defects near the entrance and exit of the nanotubes has a preeminent effect on the movement of water molecules through the nanotube.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Physics, Multidisciplinary
Zhang Xie, Zheng Li, Gang Lou, Qing Liang, Jiang-Xing Chen, Jianlong Kou, Gui-Na Wei
Summary: This paper proposes a method to regulate the conformational transition of carbon chains in water through electric fields, showing great potential in regulating hydrophobic molecules and drug molecule design.
COMMUNICATIONS IN THEORETICAL PHYSICS
(2021)
Article
Thermodynamics
Hao Dang, Dongxing Song, Zizhen Lin, Meng An, Weigang Ma, Xing Zhang
Summary: This study proposes a strategy to enhance the thermophoresis of confined nano-liquid using an external electric field, and demonstrates its feasibility through molecular dynamics simulation. The work has great potential applications in seawater desalination, cellular uptake and drug carrier, and nanofiltration membranes.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Acoustics
P. Belardinelli, S. Lenci, F. Alijani
Summary: Through molecular dynamics simulations, this study explores the possibility of internal resonances in single-walled carbon nanotubes. The resonant condition is controlled by manipulating the symmetry in the boundary condition and increasing the energy exchange with a coupled thermal bath. The critical temperature threshold for initiating modal interaction is found to be dependent on the nanotube's chirality. By applying the proper orthogonal decomposition algorithm, the study demonstrates how thermal fluctuations influence the vibrational behavior of the nanotube, leading to both flexural-flexural and flexural-longitudinal resonances.
JOURNAL OF SOUND AND VIBRATION
(2024)
Article
Chemistry, Physical
X. W. Meng, X. Kang
Summary: Water transport through a single-walled carbon nanotube (SWCNT) with a small nanogap under a vertical electric field is studied using molecular dynamics simulations. The results show that the water transfer rate and properties in the SWCNT with a nanogap change with increasing electric field. This study is of importance for the design of energy-saving devices.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Xinyuan Zhou, As 'ad Alizadeh, Baraa Abd Alreda, Fay Fathdal, Jamal K. Abbas, Hamza Jasim Albazoni, Mahmoud Shamsborhan, Navid Nasajpour-Esfahani, Maboud Hekmatifar
Summary: This study investigates the effect of the external electric field on the nano-pumping efficiency of defected boron nitride nanotubes. Simulations show that the external electric field improves the performance of the nano-pump in the pristine structure, with a convergence time of 10.03ps. Additionally, the amplitude of the electric field is an important parameter in the nano-pumping simulations.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Review
Chemistry, Analytical
Weidong Li, Mohammed Al-Bahrani, Asad Alizadeh, Navid Nasajpour-Esfahani, Mahmoud Shamsborhan, Davood Toghraie
Summary: This work examined the displacement of C20 molecules in carbon nanotubes with different electric field frequencies and silicon doping using the molecular dynamics method. The results showed that the displacement of C20 molecules increased with the increase of electric field frequencies, and the kinetic energy of the structure also increased. Si doping had an effect on the displacement time of C20 molecules.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lu Qiu, Feng Ding
Summary: Revealing the true picture of the carbon nanotube growth front at the catalyst surface is crucial for understanding the mechanism of controlled CNT growth. Through simulation experiments, it has been found that a clean CNT-catalyst interface dominates the growth kinetics during real CNT experimental growth, indicating the feasibility of controlling CNT growth by tuning the CNT-catalyst interface.
Article
Engineering, Chemical
Ning Li, Yunhui Pang, Zhiqian Sun, Yongxiang Sun, Zhuang Qi, Wangqing Li, Yue Liu, Bin Li, Zhenbo Wang, Hongbo Zeng
Summary: Polymers have a significant impact on the electrostatic demulsification efficiency of water-in-oil (W/O) emulsions by altering the motion characteristics of water droplets. The addition of polymers increases the polarity of the droplets, promoting their deformation and breakup under an electric field. The migration of polarized polymers and ions ultimately leads to droplet breakup.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Chemistry, Physical
L. Y. Wang, X. W. Meng
Summary: In this article, molecular dynamics simulations are used to investigate the properties of water molecules through the inward combined carbon nanotube. It is found that water unidirectional transport efficiency increases in the inward combined carbon nanotube, unless water molecules cannot pass through the inward combined carbon nanotube. The occupancy of water molecules, the bidirectional water transfer rate, the unidirectional water transfer rate, the velocity, and the order parameter of water molecules in the inward carbon nanotube are dependent on the structure of the inward combined carbon nanotube. These results contribute to the understanding of the inward combined structure effect on the transport of water molecules.
Article
Chemistry, Physical
X. W. Meng, Y. Li, X. Q. Yang
Summary: This article studies the water properties in tandem carbon nanotubes (TCNTs) with molecular dynamics simulations and finds that water molecules in TCNT can achieve fast wet-dry phase transitions under a transverse electric field. Furthermore, the water occupancy in TCNT exhibits different trends under different electric field strengths.
Article
Chemistry, Physical
X. Kang, X. W. Meng
Summary: Using molecular dynamics simulations, we investigated the transport of water molecules through disjoint carbon nanotubes (DCNTs) with different diameters under the influence of lateral electric fields. We observed a significant decrease in the occupancy, flow rate, and flux rate within large DCNTs as the lateral electric field increased from 0 V/nm to 1.0 V/nm, while small DCNTs showed only a slight decrease in these parameters. This study provides valuable insights into the diameter effect of DCNTs on water transport and the design of novel nanoscale devices.
Article
Energy & Fuels
Jie Chen, Chanjuan Liu, Zhengcai Zhang, Nengyou Wu, Changling Liu, Fulong Ning, Bin Fang, Yizhao Wan, Qingtao Bu, Gaowei Hu
Summary: Strong static electric fields can induce the migration of Na+ and Cl- ions, leading to the decomposition of methane hydrate. Increasing electric field strength enhances the destructive ability of ions to hydrate, resulting in faster decomposition. This study provides insights into a new method for natural gas hydrate extraction and inhibition of hydrate formation in pipelines, as well as the potential of using hydrate as a new ion exchange membrane material in the future.
Article
Materials Science, Multidisciplinary
Kun Cai, Puwei Wu, Qing-Hua Qin
Summary: In this study, the interaction between the bladed rotor and water in a rotation transmission nanosystem is investigated using molecular dynamics simulation. Several important conclusions are drawn for the design of nanomachines, including the ability to control rotation transmission efficiency by adjusting the height of the blades.
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS
(2022)
Article
Engineering, Electrical & Electronic
Sumaiya Wahid, Md. Kawsar Alam
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2020)
Article
Physics, Applied
Sumaiya Wahid, Nadim Chowdhury, Md Kawsar Alam, Tomas Palacios
APPLIED PHYSICS LETTERS
(2020)
Article
Energy & Fuels
Uday Saha, Abhijit Biswas, Md Kawsar Alam
Summary: A novel solar cell structure was designed in this study, utilizing ACZTSe as the absorber layer and optimizing the thickness and carrier density of other layers to achieve higher efficiency than selenium rich CZTSe solar cells. The design also includes utilizing CZTSe as a back surface field layer and ITO as the back electrode.
Article
Engineering, Electrical & Electronic
Md Ajwaad Zaman Quashef, Md Kawsar Alam
Summary: The inherently parallel and ultrafast nature of photonic circuits make them well-suited for content addressable memory (CAM) circuits, which can perform highly parallel computations with high throughput and low latency. This paper proposes a scalable photonic CAM architecture using silicon microring resonators embedded with phase change material patches, offering reconfigurable nonvolatile capabilities and reliable high-speed read operations in the presence of noise and nonidealities.
OPTICAL AND QUANTUM ELECTRONICS
(2022)
Article
Materials Science, Multidisciplinary
Shoaib Mahmud, Md Mobinul Haque, Md Kawsar Alam
Summary: This study investigates the topological characteristics of halogen-decorated bilayer stanene, confirming their advantages over monolayer counterparts in terms of fabrication difficulties, as well as the tunability of their topological nature through external strain.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2022)
Article
Engineering, Electrical & Electronic
Shafayeth Jamil, Nishat Tasnim Hiramony, Md Kawsar Alam
Summary: In this study, we conduct a rigorous optoelectronic computational analysis of c-GaN/GaAs heterojunction solar cells and explore their performance enhancement strategies. By using a compositionally graded GaAs1-xNx buffer layer and optimizing the thickness of the GaAs absorber layer and the doping concentration of the c-GaN buffer layer, we achieved a power conversion efficiency of about 23% within a 1.25-μm thin-film GaAs. The results demonstrate the vast application potential of c-GaN/GaAs heterojunction in high-efficiency solar cells.
IEEE TRANSACTIONS ON ELECTRON DEVICES
(2023)
Article
Chemistry, Multidisciplinary
Shafayeth Jamil, Uday Saha, Md. Kawsar Alam
Summary: Thin-film silicon solar cells are of interest due to their low material usage and cost-effective processing, but their low power-conversion efficiency hinders commercial usage and mass production. To address this issue, an ultrathin dual junction tandem solar cell with Cu2ZnSnS4 (CZTS) and crystalline silicon (c-Si) as the main absorbing layers was designed. Computational analyses showed a 28.28% power conversion efficiency within 9 μm thin-film c-Si using a 220 nm top CZTS layer. These findings have the potential to reduce the amount of silicon in solar cells while maintaining high power conversion efficiency.
NANOSCALE ADVANCES
(2023)
Article
Chemistry, Multidisciplinary
Ankan Ghosh Dastider, Ashiqur Rasul, Ehsanur Rahman, Md. Kawsar Alam
Summary: A comprehensive defect-based analysis was conducted on the electronic and mechanical properties of MoSi2N4, revealing a transition from a semiconductor to a metal phase due to the gradual change in electronic and mechanical characteristics caused by defect introduction. The thermal and topological characteristics of MoSi2N4 were also explored, showing trivial topological properties and the effects of temperature on specific heat, entropy, and free energy. These findings have implications for incorporating MoSi2N4 in future 2D electronics.
Article
Chemistry, Multidisciplinary
Munia Ferdoushi, Sumaiya Wahid, Md Kawsar Alam
Summary: In this study, we report the design, optimization, and performance analysis of three axial junction nanowire solar cells based on CdTe, CIGS, and CZTS. These nanowire solar cells show significant improvements in their optical and electrical characteristics compared to planar counterparts. The incorporation of a forward scatterer on top of the front contact further enhances the performance of these nanowire solar cells, leading to increased absorption and improved power conversion efficiency.
Article
Chemistry, Multidisciplinary
Rifat Shahriar, Orchi Hassan, Md Kawsar Alam
Summary: This article investigates the gas adsorption properties of buckled GaAs monolayer as a gas sensing material using first-principles calculations. It is found that the GaAs monolayer is responsive to NO, NO2, NH3, and SO2, with NH3, SO2, and NO2 chemisorbing and causing a significant change in the work function. Among the gas molecules considered, NO shows better spin-splitting property and a significant change in conductivity in the far-infrared range.
Proceedings Paper
Computer Science, Theory & Methods
Tonushree Dutta, Md Kawsar Alam
PROCEEDINGS OF 2020 11TH INTERNATIONAL CONFERENCE ON ELECTRICAL AND COMPUTER ENGINEERING (ICECE)
(2020)
Article
Chemistry, Multidisciplinary
Shoaib Mahmud, Md. Kawsar Alam
Article
Engineering, Multidisciplinary
Md Mobinul Haque, Md Kawsar Alam
ENGINEERING RESEARCH EXPRESS
(2019)
Article
Nanoscience & Nanotechnology
Mahnaz Islam, Md Mushfiqur Rahman, Mokter Mahmud Chowdhury, Md Kawsar Alam
ACS APPLIED NANO MATERIALS
(2019)
