DOI: 10.5281/zenodo.10836666
title: Laser assisted fabrication of mechanochemically robust Ti3Au intermetallic at Au-Ti interface

description: Description:

      a. Materials Properties used in the Finite Element Analysis (FEA): 



specific_enthalpy.zip :The specific enthalpy (h) data  for Au and Ti are presented in the table of temperature (K) and specific enthalpy (J/kg) columns. specific_h_au0001.dat file corresponds to gold and specific_h_ti0001.datcorresponds to Titanium. In each of these .dat files, the temperature values are provided in the first column whereas specific enthalpy values are provided in the second column.

viscosity.zip folder: The viscosity (mu) data  for Au and Ti are presented in the table of temperature (K) and viscosity (Pa S) columns. mu_Au.dat file corresponds to gold and mu_Ti.dat corresponds to Titanium. In each of these .dat files, the temperature values are provided in the first column whereas viscosity values are provided in the second column.  Solid regimes are assumed to be of high viscosity values. 


     b. information_total_geometry_microscale.csv: This is the data related to finite element analysis. The information geometrical dimensions of the overall geometry (combined geometry consisting of bottom titanium layer and upper gold layer) and the  numbers of 1D, 2D and 3D mesh elements  is provided in this file.  This is the data associated with Fig. 8(a) in the paper.

c. top_and_bottom_layers_comparison_microscale.csv:  The data in this file is presented to emphasize the role of creating finite element meshes of different densities. This file only presents the information about the geometrical  dimensions and 3D mesh elements. This file specifically compares the number of mesh elements between the top gold layer and bottom titanium layer. The gold layer (2 micrometers in height)  is 25 times thinner than the titanium layer (50 micrometers). However, the number of 3D volume elements in the titanium layer is only 2.19 times more than that of gold layer. So, the upper Au layer has relatively fine meshing and lower Ti layer has relatively coarse meshing. 

    d. radial_distance_irradiance_intensity_data.csv: The data is related to laser related aspects in the finite element analysis. This file consists of the data showing the distribution of irradiance (W/m^2) with the radial distance (r) from the center of the beam spot for a flat top heat source described with the expression I = \frac{P}{3.14*r0^2} U*|r0-r| . In this work, laser power = 100.0 W and beam spot radius (r0) = 122.5 micrometers. The 3D visualization of this data is  provided at: 

 

e. laser_material_interface.csv: This file outlines  the major concepts how the laser heat source has been interfaced with the material domain in the finite element analysis. the data is in the string format.

 

f. initial_configurations_of_molecular_slabs.zip: The configuration of molecular slabs of HCP Ti and Simple Cubic Ti3Au intermetallics are respectively presented as two separated files.

g. nanoindentation-force-ti3au-imc.csv: The data of indentation depth (Angstrom) and force (nN) in the upper active region for the Ti3Au slab are presented. 

h. nanoindentation-force-titanium.csv: The data of indentation depth (Angstrom) and force (nN) in the upper active region for the Ti  slab are presented. 

 

 

 
description: This work was supported by the National Science Centre, Poland (PRELUDIUM grant, UMO-2022/45/N/ST8/01004 and SONATA BIS grant, UMO-2021/42/E/ST5/00339). This work was also supported by the European Union through the European Social Fund (grant POWR.03.05.00-00-Z305). The Authors would like to express gratitude to Arkadiusz Ptak - Kiesow Polska Sp. z o.o. Zabrze, Poland, Pawliczka 25 street for the sharing of the gold application bath.