Zobrazeno 1 - 10
of 9 686
pro vyhledávání: '"Lennard-Jones"'
Autor:
Limmer, David T., author
Publikováno v:
Statistical Mechanics and Stochastic Thermodynamics : A Textbook on Modern Approaches in and out of Equilibrium, 2024, ill.
Externí odkaz:
https://doi.org/10.1093/oso/9780198919858.003.0010
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-12 (2024)
Abstract This study employs a combination of mathematical derivation and optimization technique to investigate the adsorption of drug molecules on nanocarriers. Specifically, the chemotherapy drugs, fluorouracil, proflavine, and methylene blue, are n
Externí odkaz:
https://doaj.org/article/7deaec2e9f124487b3b9eb91210161e1
Autor:
Pablo Moscato, Mohammad Nazmul Haque
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)
Abstract We present a new method for approximating two-body interatomic potentials from existing ab initio data based on representing the unknown function as an analytic continued fraction. In this study, our method was first inspired by a representa
Externí odkaz:
https://doaj.org/article/2a3b0ba8962a43a798a9cffb66ed209b
Publikováno v:
Advanced Modeling and Simulation in Engineering Sciences, Vol 11, Iss 1, Pp 1-47 (2024)
Abstract This article proposes a novel computational modeling approach for short-ranged molecular interactions between curved slender fibers undergoing large 3D deformations, and gives a detailed overview how it fits into the framework of existing fi
Externí odkaz:
https://doaj.org/article/56b9a5d296f14a0fb553c39333274163
Publikováno v:
Revista Brasileira de Ensino de Física, Vol 46 (2024)
A interpretação e descrição dos fenômenos naturais, intrínseca à Ciência, demanda abstração conceitual, utilizando observações e construções teóricas. Conceitos como átomos e moléculas, junto a equações matemáticas, foram desenvol
Externí odkaz:
https://doaj.org/article/02bfe382bbd44f64bf34bf974648fc1c
Publikováno v:
Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100048- (2024)
Gas adsorption on one-atom-thick membranes is a growing technology for separation applications owing to its excellent energy efficiency. Herein, we investigate the adsorption of the noble gases, Ne, Ar and Kr on graphynes (GYs), a novel class of one-
Externí odkaz:
https://doaj.org/article/3e69bc59edb648599573eea2e3e419a4
Publikováno v:
Carbon Trends, Vol 15, Iss , Pp 100334- (2024)
Graphene has been used as a catalyst to reduce the energy barrier for corannulene inversion. For such a catalytic study, corannulene structures are normally assumed to already be in close proximity to graphene, either in the concave-up or concave-dow
Externí odkaz:
https://doaj.org/article/cf9c552602f84df68dde5707380d0181
Autor:
Aldo Dall’Osso
Publikováno v:
Crystals, Vol 14, Iss 10, p 852 (2024)
The speed of sound depends on the structure and material properties of the crystal, such as density and Young’s modulus. On the other hand, from atomistic arguments it is possible to associate Young’s modulus with other material properties. These
Externí odkaz:
https://doaj.org/article/42cb1c5043c748d8973b37729b6b6fd7
Autor:
Lulu Liu, Shuaiqun Wang
Publikováno v:
Mathematical Biosciences and Engineering, Vol 20, Iss 7, Pp 12211-12239 (2023)
The objective of this paper is to design a fast and efficient immune algorithm for solving various optimization problems. The immune algorithm (IA), which simulates the principle of the biological immune system, is one of the nature-inspired algorith
Externí odkaz:
https://doaj.org/article/28cb550626b54893b3b625909a844e81
Autor:
Huda Alsaud, Mansoor H. Alshehri
Publikováno v:
Frontiers in Physics, Vol 11 (2023)
Lithium storage and capture are of particular importance for the development of new technology in electric vehicles and portable electronics. Nanotubes (NTs) are among many porous nanomaterials offered as potential candidates for lithium storage. In
Externí odkaz:
https://doaj.org/article/92885e2e161f48f2843a449f68b35115