Simulation of two nanoparticle melting to understand the conductivity drop of 3D-printed silver nanowires

Kuruganti, Teja; Joshi, Pooran K.; Goswami, Monojoy

doi:10.1016/j.matdes.2023.112502

Title: Simulation of two nanoparticle melting to understand the conductivity drop of 3D-printed silver nanowires

Journal Article · 20 November 2023 · Materials & Design

DOI: https://doi.org/10.1016/j.matdes.2023.112502 · OSTI ID:2251612

Kuruganti, Teja ^[1]; Joshi, Pooran K. ^[2];

^[3]

Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Computer Science and Engineering Division
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Energy Science and Technology Division
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division

The future flexible sensor technology will require low-temperature, fast processing 3D printing techniques that will rely heavily on the quality of nanoparticle (NP) Ink. Electrical conductivity has been found to decrease in majority of the 3D printed electronic wires. Herein we report a fundamental understanding in drop of electrical conductivity in processed silver (Ag) line wire, generally found in Ag-nanoparticle Ink, using large-scale atomistic molecular dynamics (MD) simulations of sintering of five different sizes of Ag NPs. To preserve the high conductivity of pure silver wires, the integrity of the pristine face-centered cubic (FCC) crystalline structure must be retained in the processed line wires. Simulations show that the pristine Ag FCC structures of the nanoparticles are not recovered after melting and resolidification, instead, the resolidified material is paracrystaline. The breakdown of pristine FCC structures might be the cause of the drop in conductivity of processed Ag wires. Simulation results suggest that the intermediate size nanoparticles retain highest percentage of the pristine silver face-centered cubic (FCC) structure after pulse treatments. Our results show that the most promising Ag-Ink should contain smaller to medium size silver NPs that can retain FCC structure after 3D printing of the Ag-Ink.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Electricity (OE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Building Technologies Office

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

OSTI ID:: 2251612

Journal Information:: Materials & Design, Vol. 236, Issue 1; ISSN 0264-1275

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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