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Journal of Chemical Technology and Applications | Volume 2
Annual Spring Conference and Expo on
April 04-05, 2018 | Miami, USA
Chemical Engineering: From
Materials Engineering to Nanotechnology
allied
academies
I
mportant advances in multi-scale computer simulation
techniques for computational materials science have been
made in the last decade as scientists and engineers strive
to imbue continuum-based models with more-realistic
details at quantum and atomistic scales Materials modelling
and simulation aims to develop fundamental relationships
between the atomic structure and properties of molecules
and materials. Simulation modelling has been used in a
wide range of physical and social sciences and engineering
fields, ranging from nuclear fusion to economic forecast to
space shuttle design. For different types of situations and
systems, different types of models are used. In classifying
simulations, there are important distinctions among the
types of models that are being simulated, and among the
types of program structures that are used to carry out the
simulation. Computer modelling and simulation are known
to aid design of new materials, processes and products.
A model is a conceptual description of an entity or a
phenomenon, quantified using the relevant laws of science
with allowable approximations and simplifications. The
four important sequential steps involved in any modelling
are conceptualization, simplification, representation and
finally quantification. Essentially, a model provides the
basis for simulation to create an image of a real system or
a phenomenon. Modern computers have made simulation
attractive to the extent that ‘virtual reality’ has become
possible. Sound numerical simulations are almost equivalent
to performing real experiments and therefore referred to
as ‘numerical experiments’. A real experiment is a direct
dialogue with the system of interest and therefore expected
to be naturally reliable.
e:
saschcheen2015@gmail.comModeling and simulation in Materials Science
Chinta Sanjay
GITAM University, India