Ehsan Alibagheri¹, Bohayra Mortazavi², Timon Rabczuk^3,4,*

CMC-Computers, Materials & Continua, Vol.67, No.1, pp. 1287-1300, 2021, DOI:10.32604/cmc.2021.013564 - 12 January 2021

Abstract Machine-learning (ML) models are novel and robust tools to establish structure-to-property connection on the basis of computationally expensive ab-initio datasets. For advanced technologies, predicting novel materials and identifying their specification are critical issues. Two-dimensional (2D) materials are currently a rapidly growing class which show highly desirable properties for diverse advanced technologies. In this work, our objective is to search for desirable properties, such as the electronic band gap and total energy, among others, for which the accelerated prediction is highly appealing, prior to conducting accurate theoretical and experimental investigations. Among all available componential methods, gradient-boosted More >

Mayte M. Quispe^1,*, Olivia V. López¹, Marcelo A. Villar^1,2

Journal of Renewable Materials, Vol.7, No.4, pp. 383-391, 2019, DOI:10.32604/jrm.2019.04276

Abstract Among biopolymers, thermoplastic starch (TPS) is a good candidate to obtain biomaterials because of its natural origin, biodegradable character, and processability. Exposure to ultraviolet (UV) radiation causes significant degradation of starch-based materials, inducing photooxidative reactions which result in breaking of polymer chains, production of free radical, and reduction of molar mass. These changes produce a deterioration of TPS mechanical properties, leading to useless materials after an unpredictable time. In this work, changes induced on TPS by UV radiation, analyzing structural properties and mechanical behavior, are studied. TPS was obtained through thermo-mechanical processing of native corn… More >

L.S. Melro^1,2, L.R. Jensen¹

CMC-Computers, Materials & Continua, Vol.53, No.2, pp. 109-127, 2017, DOI:10.3970/cmc.2017.053.111

Abstract Molecular dynamics simulations were applied in order to calculate the Young’s modulus of graphene functionalized with carboxyl, hydroxyl, carbonyl, hydrogen, methyl, and ethyl groups. The influence of the grafting density with percentages of 3, 5, 7, and 10% and the type of distribution as a single cluster or several small clusters were also studied. The results show that the elastic modulus is dependent on the type of functional groups. The increasing coverage density also evidenced a decrease of the Young’s modulus, and the organization of functional groups as single cluster showed a lesser impact than More >

Annette Doyle^*, Steven R. Crosby^†, David R. Burton^*, Francis Lilley^*, Gary Johnston^*, Winder B. Perez^‡, Terri G. Kinzy^‡, Mark F. Murphy^*,†,§

Molecular & Cellular Biomechanics, Vol.10, No.4, pp. 275-288, 2013, DOI:10.3970/mcb.2013.010.275

Abstract Many diseases including cancer are associated with a disorganised cytoskeleton. The process of characterising how cytoskeletal disorganisation affects the mechanical properties of cells offers the potential to develop new drugs and treatment regimes that may exploit mechanical weakness in cells and tissues. This work investigated the role of actin associated proteins, namely tropomyosin 1 (tpm1p) and mitochondrial distribution and morphology protein 20 (mdm20p), on the mechanical and morphological properties of yeast cells. For the first time it was shown that deletion of both the TPM1 and MDM20 genes resulted in a decrease in Young’s modulus More >

Shadia J Ikhmayies¹, Naseem M. Abu El-Haija², Riyad N. Ahmad-Bitar³

FDMP-Fluid Dynamics & Materials Processing, Vol.6, No.2, pp. 219-232, 2010, DOI:10.3970/fdmp.2010.006.219

Abstract Large area and highly uniform polycrystalline ZnO thin films have been produced by a spray pyrolysis (SP) technique resorting to a customized system (spraying) on glass substrates at temperature Ts= 450℃. This study deals with the related investigation about the influence of heat treatment (in nitrogen atmosphere) on the resulting properties (electrical, optical and structural) of such films. Properties are analyzed by means of I-V plots, transmittance curves, X-Ray diffractograms (XRD) and scanning electron microscope (SEM) micrographs. Results show that the resistivity of the films decreases from about 200W.cm for the as-deposited films to about… More >