Experimental High-Resolution Observation of the Truncated Double-Icosahedron Structure: A Stable Twinned Shell in Alloyed Au–Ag Core@ Shell Nanoparticles

R Mendoza-Cruz, JP Palomares-Báez… - Nano Letters, 2024 - ACS Publications
Given the binary nature of nanoalloy systems, their properties are dependent on their size,
shape, structure, composition, and chemical ordering. When energy and entropic factors for …

Laser‐Induced Self‐Limiting Welding of Ag Nanowires with High Mechanical and Electrical Performance

X Ren, X Mei, J Zhou, X Wang, F Wei, H Mei… - Advanced …, 2024 - Wiley Online Library
The high‐efficiency and high‐precision welding technology of Ag nanowires is of great
engineering significance for the integration of new‐generation micro‐and nanodevices, and …

Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields

AT Sose, T Gustke, F Wang, G Anand… - Journal of Chemical …, 2024 - ACS Publications
New Bayesian parameter estimation methods have the capability to enable more physically
realistic and reliable molecular dynamics (MD) simulations by providing accurate estimates …

Cyclic stress-strain behavior and microstructural features in copper-Cu50Zr50 metallic glass core-shell structures: Molecular dynamics and deep machine learning …

G Katakareddi, K Jungalwala, N Yedla - Materials Chemistry and Physics, 2025 - Elsevier
In this paper, we report the strain-controlled cyclic deformation behavior of copper-Cu 50 Zr
50 metallic glass (MG) core-shell structures using the molecular dynamics (MD) simulation …

Elastic energy and interactions between twin boundaries in nanotwinned gold

YF Woguem, P Godard, J Durinck… - Computational Materials …, 2023 - Elsevier
Nanotwinned metals exhibit a surprising combination of ultrahigh strength and high ductility.
We have performed atomistic simulations in gold to study interactions between coherent twin …

Tensile and Cyclic Deformation Response of Aluminum Biphenylene-Based Graphene Composite Laminates: An Atomistic Simulation Study

N Yedla, G Katakareddi, K Pasagadugula… - Journal of Materials …, 2024 - Springer
In this study, the response of aluminum biphenylene-based graphene composite laminates
to tensile and cyclic deformation is investigated using molecular dynamics (MD) simulations …

The Impact of Cooling Rate on the Tensile and Cyclic Stress-strain Characteristics of Different Solder Alloys at Nanoscale

S Fardin, MJ Moresalein, T Islam, A Faiyad… - arxiv preprint arxiv …, 2023 - arxiv.org
Lead-free solder alloys based on tin, silver, or copper-based ones, have gained popularity
over lead-based options due to improved properties and safety. In our previous studies, the …

Structural evolution and mechanical stabilities of head-to-side nanowelding of Cu–Ag bimetallic nanowires via atomistic simulations

R Fang, Z Li, L Guo, H Li - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Nanowelding, self-healing and mechanical stabilities of conductive networks of Cu–Ag core–
shell nanowires are of vital importance for their extensive applications. In this study …