Preferential growth of intermetallics under temperature gradient at Cu–Sn interface during transient liquid phase bonding: insights from phase field simulation

<p>The data of (i) heats of transport values and (ii) coefficients for expressions of free energy density of phases used to generate the results in the paper&nbsp; &nbsp;titled &quot;Preferential growth of intermetallics under temperature gradient at Cu&ndash;Sn interface during transient liquid phase bonding: insights from phase field simulation&quot; are provided in this dataset.</p> <p><br> <strong>(i )</strong> The heats of transport (Q*) values of Cu and Sn species in LIQUID (Sn-rich), IMC (CU6SN5) and FCC (Cu-rich) phases at&nbsp; T=523.15 K (<strong>constant cold side temperature</strong>) are available in <em>heat_of_transport.csv</em> file. The numerical quantities in the Q* column of the file are expressed in the unit of kJ/mol. In this work, these Q* values have been independently validated to work for applied thermal gradients (<span class="math-tex">\(\nabla T\)</span>_a) of <strong>1.5E+5 K/m </strong>and <strong>1.5E+6 K/m&nbsp;</strong>Thus, the following meanings hold true for the column names of this data file:</p> <p><strong>phase</strong> - it is the name of a phase studies (e.g. Cu-rich FCC phase, &nbsp;Sn-rich LIQUID phase and Cu₆Sn₅ IMC phase. the data type is&nbsp; &nbsp;string, and has no unit.&nbsp;</p> <p><strong>species</strong> - the element Cu and Sn of the binary Cu-Sn system. the data type is a string, and has no unit.&nbsp;</p> <p><strong>T (K)</strong> - it is the <strong>constant temperature (T = T_cold&nbsp;= 523.15 K)&nbsp; at the bottom cold edge&nbsp;</strong> of a rectangular&nbsp; computational domain of width = 498 nm and height = 747 nm. the data is a float value, and has a unit of K.&nbsp; <strong>&nbsp;The information about cold edge temperature&nbsp;T_cold being the constant reference temperature, and the hot edge temperature being T_hot=&nbsp;&nbsp;T_cold&nbsp;+&nbsp; <span class="math-tex">\(\nabla T\)</span>_a&nbsp;, is a novelty of this work. </strong>While most of the other works are based upon hot edge being maintained at constant temperature by a thermal&nbsp; heater, this work presents the data with the temperature of&nbsp;cold edge maintained constant by a thermal cooler.&nbsp;</p> <p><strong>Q* (kJ/mol)</strong> - The data of heat of transport values expressed in terms of unit of kJ/mol can be either negative or positive. In this work, the values presented in the table have been validated for applied vertical thermal gradients of&nbsp;&nbsp; (<span class="math-tex">\(\nabla T\)</span>_a) of <strong>1.5E+5&nbsp;&nbsp;</strong>and <strong>1.5E+6 K/m .</strong></p> <p>&nbsp;</p> <p><strong>(ii)</strong> The chemical free energy density of a phase i (i = LIQUID, IMC or FCC ) at 523.15 K has been expressed with&nbsp; the function f_i= 0.5 * A_i * (c_i- c_eq,i)² + B_i * (c_i- c_eq,i) + C_i; where c_i is the mole-fraction (composition) of Sn in a phase.&nbsp; The data consisting of the numerical values of coefficients A_i, B_i and C_i on the units of J/m³ are provided in the file free_energy_density.csv. Besides these coefficients, the file also consists the quantified values of the equilibrium composition c_eq,iat each phase. It is to be noted that c_eq,i has no units.</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p>