Alexander Lukin^1,*, Oğuz Gülseren²

FDMP-Fluid Dynamics & Materials Processing, Vol.18, No.6, pp. 1763-1779, 2022, DOI:10.32604/fdmp.2022.022016

Abstract Carbyne-enriched nanomaterials are of current interest in nanotechnology-related applications. The properties of these nanomaterials greatly depend on their production process. In particular, structural self-organization and auto-synchronization of nanostructures are typical phenomena observed during the growth and heteroatom-doping of carbyne-enriched nanostructured metamaterials by the ion-assisted pulse-plasma deposition method. Accordingly, fine tuning of these processes may be seen as the key step to the predictive designing of carbyne-enriched nano-matrices with improved properties. In particular, we propose an innovative concept, connected with application of the vibrational-acoustic effects and based on universal Cymatics mechanisms. These effects are used to induce vibration-assisted self-organized wave patterns… More >

Zhengyi Li^1,2,3, Lihua Qiu^1,2,3,*

Oncologie, Vol.23, No.4, pp. 515-531, 2021, DOI:10.32604/oncologie.2021.019856

Abstract Improving the effectiveness of cancer treatment has become a central concern for the public. In recent years, in order to maximize the efficiency of cancer treatment, photodynamic therapy (PDT) and sonodynamic therapy (SDT) have received widespread attention. Chlorin e6 (Ce6) is a fluorescent dye with strong optical properties and excellent photoconversion efficiency under near-infrared light irradiation, which has been widely used in PDT in recent decades due to its superior antitumor ability. Of note, Ce6 can be used as a sonosensitizer for SDT, which generates large amounts of reactive oxygen species (ROS) for tumor treatment after ultrasound activation. These strategies… More >

FRANCISCO J. BARRANTES^#,*

BIOCELL, Vol.45, No.6, pp. 1479-1484, 2021, DOI:10.32604/biocell.2021.016502

Abstract Cholesterol is a major lipid in biological membranes. It not only plays a structural role but also modulates a wide range of functional properties of neurotransmitter and hormone receptors and ion channels. The membraneembedded segments of the paradigm neurotransmitter receptor for acetylcholine (nAChR) contain linear sequences of amino acids with the capacity to recognize cholesterol. These cholesterol consensus domains have been designated as “CARC” and its mirror sequence “CRAC”. CARC preferentially occurs in the exoplasmic-facing membrane leaflet, and CRAC, in the cytoplasmic-facing hemilayer. Both motifs are highly conserved among ion-channel and neurotransmitter receptor proteins in vertebrate nervous systems, where they… More >

Mohammad Maghsoudi-Ganjeh, Xiaodu Wang^*, Xiaowei Zeng^*

CMES-Computer Modeling in Engineering & Sciences, Vol.125, No.1, pp. 1-32, 2020, DOI:10.32604/cmes.2020.012123

Abstract In this review, a brief presentation is first given to the hierarchical structure and mechanical behavior of bone. Then, the recent advancements in nanoscale characterization of bone ultrastructure and ingredients are discussed based on an extensive quantity of references in the literature.Moreover, computational and analytical bone mechanics at ultrastructure levels are critically reviewed with the growing body of knowledge in the field. The computational and analytical models are summarized in several categories for ease of understanding bone nanomechanics and their applicability/limitations. This review is expected to provide a well-informed foundation for the researchers interested in interrogating the complex biomechanical response… More >

Zone-Ching Lin¹, Ming-Long Huang¹

The International Conference on Computational & Experimental Engineering and Sciences, Vol.10, No.3, pp. 89-90, 2009, DOI:10.3970/icces.2009.010.089

Abstract The paper develops a two dimensional quasi-steady molecular staic model to simulate the vertical down press copper workpiece by down press the nanoscale depth of abrasive grains in different shapes. The research of the down pressing copper workpiece of abrasive grains in this paper uses the hexagonal close packed diamond abrasive grains to down press the perfect face-centered cubic copper. The paper's simulation of down pressing nanoscale depth model of abrasive grain by two dimensional quasi-steady molecular statics model is a step by step to down press copper workpiece by diamond abrasive grain. It is assumed that each atom of… More >

Zone-Ching Lin¹, Ying-Chih Hsu¹

CMC-Computers, Materials & Continua, Vol.27, No.2, pp. 143-178, 2012, DOI:10.32604/cmc.2012.027.143

Abstract This paper uses quasi-steady molecular statics method to carry out simulation of nanoscale orthogonal cutting of single-crystal copper workpiece by the diamond tools with different edge shapes. Based on the simulation results, this paper analyzes the cutting force, equivalent stress and strain, and temperature field. For the three-dimensional quasi-steady molecular statics nanocutting model used by this paper, when the cutting tool moves on a workpiece, displacement of atoms is caused due to the effects of potential on each other. After a small distance that each atom moves is directly solved by the calculated trajectory of each atom, the concept of… More >

H.T. Liu^1,2, Z. Chen², S. Jiang², Y. Gan³, M.B. Liu⁴, J.Z. Chang¹, Z.H. Tong¹

CMES-Computer Modeling in Engineering & Sciences, Vol.95, No.4, pp. 303-315, 2013, DOI:10.3970/cmes.2013.095.303

Abstract Dissipative particle dynamics (DPD) and molecular dynamics (MD) are both Lagrangian particle-based methods with similar equations except that the DPD specification for the force definition on the particles is the result of coarsegraining, and these two methods usually get the similar results in some specific cases. However, there are still some unknown differences between them. Considering the water response to external force, a comparative study of DPD and MD is conducted in this paper, which provides a better understanding on their relation, and a potential way to effectively bridge nanoscale and mesoscale simulation procedures. It is shown that there is… More >

G.I. Giannopoulos¹, S.K. Georgantzinos², D.E. Katsareas², N.K. Anifantis²

CMES-Computer Modeling in Engineering & Sciences, Vol.56, No.3, pp. 231-248, 2010, DOI:10.3970/cmes.2010.056.231

Abstract A hybrid finite element formulation, combining nanoscopic and macroscopic considerations is proposed, for the prediction of the elastic mechanical properties of single walled carbon nanotube (SWCNT)-based composites. The nanotubes are modeled according to the molecular mechanics theory via the use of spring elements, while the matrix is modeled as a continuum medium. A new formulation concerning the load transfer between the nanotubes and matrix is proposed. The interactions between the two phases are implemented by utilizing appropriate stiffness variations describing a heterogeneous interfacial region. A periodic distribution and orientation of the SWCNTs is considered. Thereupon, the nanocomposite is modeled using… More >

Zone-Ching Lin¹, Jia-Rong Ye²

CMES-Computer Modeling in Engineering & Sciences, Vol.50, No.3, pp. 227-252, 2009, DOI:10.3970/cmes.2009.050.227

Abstract The paper develops a quasi-steady molecular statics model to analyze nanoscale cutting of copper materials by diamond cutters with different shapes. Cutting action, cutting force, equivalent strain and equivalent stress are discussed and compared. The quasi-steady molecular statics nanocutting model first assumes the trajectory of each atom of the copper workpiece being cut whenever the diamond cutter goes forward one step. It then uses the optimization search method to solve the force equilibrium equation of the Morse force in the X and Y directions when each atom moves a small distance, so as to find the new movement position of… More >

B. Yang^1,2, S.-C. Wong³, S. Qu³

CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 81-94, 2008, DOI:10.3970/cmes.2008.024.081

Abstract In the modeling of overall property of composites, the effect of particle interaction has been either numerically taken into account within a (representative) volume element of a small number of particles or neglected/ignored in order for efficient solution to a large system of particles. In this study, we apply the point-defect Green's function (GF) to take into account the effect of particle interaction. It is applicable to small volume fractions of particles (within 10 %). The high efficiency of the method enables a simulation of a large system of particles with generally elastic anisotropy, arbitrary shape and composition, and arbitrary… More >