Results 41 to 50 of about 17,737,336 (290)
Biophysical approaches for studying viral entry
FEBS Letters, EarlyView.Viruses infect all living organisms and have been responsible for major epidemics and pandemics. Their ongoing evolutionary battle with host defenses creates a constant need for improved tools to study viral behavior. Advancing methods to probe viral attachment, fusion, and genome release deepen our understanding of how infections begin and support the
Inbar Yosibash, Raya Sorkin
wiley +1 more source
Selective laser sintering of amorphous nanoparticles: Molecular dynamics simulations
Фізика і хімія твердого тілаThe paper investigates the process of liquid-phase sintering of amorphous iron-based nanoparticles by the method of molecular dynamics simulations. The classical molecular dynamics package LAMMPS was used for modeling.
I. Shtablavyi +3 more
doaj +1 more source
Predicting Mechanical and Physical Properties Nanocomposites Using Molecular Dynamics for Biomedical Applications [PDF]
AUT Journal of Mechanical EngineeringThis study focuses on simulating bio-nanocomposite structures using polycaprolactone as the polymer matrix, reinforced with hydroxyapatite and titanium dioxide nanoparticles, both of which are biocompatible and biodegradable.
Ashkan Farazin
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Computation, 2023 This study examines the mechanism of nonlinear supratransmission (NST), which involves the transfer of disturbance to discrete media at frequencies not supported by the structure. We considered a model crystal with A3B stoichiometry.
Pavel V. Zakharov +3 more
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Computational Methods for Ab Initio Molecular Dynamics [PDF]
Advances in Chemistry, 2018 Ab initio molecular dynamics is an irreplaceable technique for the realistic simulation of complex molecular systems and processes from first principles. This paper proposes a comprehensive and self-contained review of ab initio molecular dynamics from a computational perspective and from first principles.
Paquet, Eric, Viktor, Herna L.
openaire +1 more source
The human gut microbiome across the life course
FEBS Letters, EarlyView.Despite significant individual variation and continuous change throughout life, the human gut microbiome follows some life stage‐specific trends. This article provides a brief overview of how gut microbiome composition shifts across different phases of life. Created in BioRender. Özkurt, E. (2026) https://BioRender.com/8q4nrnc.
Alise J. Ponsero +4 more
wiley +1 more source
Effect of Nosé-Hoover thermostat on structural transformations in ternary Ti-Al-V nanoparticles
Физико-химические аспекты изучения кластеров, наноструктур и наноматериаловAn important criterion for verifying atomistic simulation results is not only the appropriate selection of the interatomic interaction potential and its parameters, but also the choice of thermostating methodology.
P.M. Ershov +6 more
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MD Study of Functionalized Single-Walled Carbon Nanotube
Journal of Thermal Science and Technology, 2011 Carbon nanotubes possess outstanding properties such as high thermal conductivity, ultra-high physical strength, and durability. With regard to applications, a single-walled carbon nanotube (SWCNT) is a great candidate for a new material.
Shuhei INOUE, Yukihiko MATSUMURA
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Comparison of Vibration-Assisted Scratch Characteristics of SiC Polytypes (3C-, 4H- and 6H-SiC)
Micromachines, 2022 Single-crystal silicon carbide (SiC) is widely used because of its excellent properties. However, SiC is a typical hard and brittle material, and there are many challenges in realizing its high efficiency and high-precision machining.
Wuqing Lin +6 more
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Molecular Dynamics of Yukawa System using the Fast Multipole Method [PDF]
, 2001 In order to perform the large-scale molecular dynamics simulation of the Yukawa system, a mathematical expression for molecular dynamics using the fast multipole method is described. The model simulations are also performed to test the performance of our
Kishimoto, Tokunari +3 more
core +1 more source