Two-dimensional (2D) materials such as niobium diselenide (NbSe₂) are rapidly emerging as promising candidates for next-generation manufacturing due to their exceptional mechanical flexibility, high electrical conductivity, and strong thermal stability. In this study, molecular dynamics (MD) simulations are performed to investigate the tensile properties of monolayer NbSe₂ along the armchair and zigzag orientations within a temperature range 100–600 K. The results reveal clear mechanical anisotropy: the zigzag direction consistently shows a higher fracture strain, while Young’s modulus and ultimate tensile strength (UTS) exhibit marginal orientation dependence. Increasing temperature leads to noticeable thermal softening, reducing stiffness, UTS, and fracture strain, which are critical for high-temperature device reliability. Beyond fundamental characterization, the findings facilitate directly into real manufacturing, assembly, and industrial design contexts. The high flexibility and direction-dependent strength of NbSe₂ make it an attractive material for aerospace micro-sensors, vibration-tolerant electronics, soft robotic actuators, flexible wearable sensors, and roll-to-roll printed electronics. The simulation insights support process optimization, allowing engineers to predetermine safe strain-temperature relationship during fabrication steps for this material, and they also show how atomistic simulation of NbSe₂ can guide material selection, improve production efficiency, and promote sustainable engineering progress.