M. H. Miguélez1, R. Zaera2, A. Molinari3, R. Cheriguene1, and A. Rusinek4 Department of Mechanical Engineering, Universidad Carlos III, Leganés, Madrid, Spain Department of Continuum Mechanics and Structural Analysis, Universidad Carlos III de Madrid, Leganés, Madrid, Spain Laboratory of Physics and Mechanics of Materials, Université Paul Verlaine-Metz, Metz cedex, France National Engineering S...

A general and uniied framework for adaptive computation using the nite element method, nite volume method, and boundary element method is described. The theoretical concept of the framework is based on the weak residual error estimation proposed by J. Implementation issues concerning error estimation, reenement strategies, mesh generation, object oriented programming , distributed and parallel ...

this paper investigates the lateral vibration of single-layered graphene sheets based on a new theory called doublet mechanics with a length scale parameter. after a brief reviewing of doublet mechanics fundamentals, a sixth order partial differential equation that governs the lateral vibration of single-layered graphene sheets is derived. using doublet mechanics, the relation between natural f...

in this paper we have focused on the dielectric constant effect between various solvents with theoretical modelin the biochemical process. thereby, aaa, uuu, aag and uuc triplex sequences have been optimized inwater, methanol, ethanol and dmso with proposed scrf model of theory. the solvation of biomolecules isimportant in molecular biology since numerous processes involve to interacting a prot...

We identify a new structure-property connection in the skeletal elements of the marine sponge Tethya aurantia. The skeletal elements, known as spicules, are millimeter-long, axisymmetric, silica rods that are tapered along their lengths. Mechanical designs in other structural biomaterials, such as nacre and bone, have been studied primarily for their benefits to toughness properties. The struct...

Interlaminar fracture mechanics has proven useful for characterizing the onset of delaminations in composites and has been used with limited success primarily to investigate onset in fracture toughness specimens and laboratory size coupon type specimens. Future acceptance of the methodology by industry and certification authorities however, requires the successful demonstration of the methodolo...

The annual production of 260 Gtonnes of oxygen, during the process of photosynthesis, sustains life on earth. Oxygen is produced in the thylakoid membranes of green-plant chloroplasts and the internal membranes of cyanobacteria by photocatalytic water oxidation at the oxygen-evolving complex (OEC) of photosystem II (PSII). Recent breakthroughs in X-ray crystallography and advances in quantum me...

Quantum mechanics/molecular mechanics (QM/MM) hybrid methods are currently the most powerful computational tools for studies of structure/function relations and catalytic sites embedded in macrobiomolecules (eg, proteins and nucleic acids). QM/MM methodologies are highly efficient since they implement quantum chemistry methods for modeling only the portion of the system involving bond-breaking/...

1 Department of Geotechnical Engineering, Tongji University, Shanghai 200092, China 2 Institute of Structural Mechanics, Bauhaus-University Weimar, Marienstraße 15, D-99423 Weimar, Germany 3Division of Computational Mechanics, Ton Duc Thang University, Ho Chi Minh City 70000, Vietnam 4 School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 40...

The basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential function. Based on the structural results, a new form of the Virial EOS with Peneloux correction wa...