Realistic simulation of molecular emission spectra: an advancement in direct calibration-free isotopic analysis
Year: 2025
Type: article
Abstract: This study employs Calibration-Free Laser Ablation Molecular Isotopic Spectrometry (CF-LAMIS), enhanced by the Molecular spectrA simulator under Born–OppenHeimer Approximation anD Boltzmann Equilibrium enVironment (MAHADEV) algorithm and its AWGN (Additive White Gaussian Noise) incorporated variant to directly analyse boron isotopes in natural boric acid samples and nuclear-grade boron carbide (B 4 C) samples. The boric acid samples yielded accuracy and precision consistent with previous studies. Initial analyses of B 4 C samples were challenged by the atomic and ionic interference lines. However, the BO:B-X (0–1) ro-vibrational band (RVB) was found to have fewer interferences, providing a clearer analytical window at longer acquisition delay times (t d = 22 μs). This approach achieved reasonable accuracy and precision levels comparable to those obtained from pure boric acid samples, demonstrating the effectiveness of the CF-LAMIS method in handling complex matrices. The application of the AWGN–MAHADEV algorithm provided isotopic composition with significant (~ 50%) improvement in precision while maintaining comparable accuracy. Boric acid samples achieved an accuracy and precision of 0.3% and 0.8% respectively, while natural and 10 B-enriched B 4 C samples achieved an accuracy of 0.7% and 0.2% and a precision of 0.9% and 0.6% respectively. This study highlights the potential of noise integration in calibration-free methods to achieve more precise and accurate results.
Source: Applied Physics B
Institutions: Bhabha Atomic Research Centre, Homi Bhabha National Institute
Language: English
Subfield: Mechanics of Materials
Field: Engineering
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $4,090
Award: G1928939262
OpenAlex ID: W4415440337