Bio-fuels are one of the most prominent, emerging, and promising fuels, which are aimed to replace diesel in the next decade. Though bio-fuels may not give the same performance as conventional diesel due to certain issues related to both technical and economic aspects, this fact leads to the need for alterations that are supposed to incorporate either changes in the shape of the combustion chamber or other critical factors that affect the performance of the engine. The shape of the top surface, which is known as the "bowl," in the piston plays a major role, and any slight modification in that shape leads to amplified effects on various combustion, emission, and performance parameters. This article shows the valid reason for accepting bio-fuels as fuel for CI engines by considering outcomes derived from experiments and numerical analysis with changes in the shape of the piston bowl. The results obtained are based on the attainment of various parameters, which leads to higher turbulence velocity distribution, better mixture fraction values, and lower soot formation distribution that can be obtained by modifying the shape of bowl. The pressure, temperature and heat release in the combustion chamber found to be changed due to the modification in bowl geometry.