The starting point to understanding cluster properties is the putative global minimum and all the nearby local energy minima; however, locating them is computationally expensive and difficult. The relative populations and spectroscopic properties that are a function of temperature can be approximately computed by employing statistical thermodynamics. Here, we investigate entropy-driven isomers distribution on Be₆B₁₁⁻ clusters and the effect of temperature on their infrared spectroscopy and relative populations. We identify the vibration modes possessed by the cluster that significantly contribute to the zero-point energy. A couple of steps are considered for computing the temperature-dependent relative population: First, using a genetic algorithm coupled to density functional theory, we performed an extensive and systematic exploration of the potential/free energy surface of Be₆B₁₁⁻ clusters to locate the putative global minimum and elucidate the low-energy structures. Second, the relative populations’ temperature effects are determined by considering the thermodynamic properties and Boltzmann factors. The temperature-dependent relative populations show that the entropies and temperature are essential for determining the global minimum. We compute the temperature-dependent total infrared spectra employing the Boltzmann factor weighted sums of each isomer’s infrared spectrum and find that at finite temperature, the total infrared spectrum is composed of an admixture of infrared spectra that corresponds to the spectra of the lowest-energy structure and its isomers located at higher energies. The methodology and results describe the thermal effects in the relative population and the infrared spectra.

Lowest-energy structures, the distribution of isomers, and their molecular properties depend significantly on geometry and temperature. Total energy computations using DFT methodology are typically carried out at a temperature of zero K; thereby, entropic contributions to the total energy are neglected, even though functional materials work at finite temperatures. In the present study, the probability of the occurrence of one particular Be₄B₈ isomer at temperature T is estimated by employing Gibbs free energy computed within the framework of quantum statistical mechanics and nanothermodynamics. To identify a list of all possible low-energy chiral and achiral structures, an exhaustive and efficient exploration of the potential/free energy surfaces is carried out using a multi-level multistep global genetic algorithm search coupled with DFT. In addition, we discuss the energetic ordering of structures computed at the DFT level against single-point energy calculations at the CCSD(T) level of theory. The total VCD/IR spectra as a function of temperature are computed using each isomer’s probability of occurrence in a Boltzmann-weighted superposition of each isomer’s spectrum. Additionally, we present chemical bonding analysis using the adaptive natural density partitioning method in the chiral putative global minimum. The transition state structures and the enantiomer–enantiomer and enantiomer–achiral activation energies as a function of temperature evidence that a change from an endergonic to an exergonic type of reaction occurs at a temperature of 739 K.

The simultaneous measurement of transverse load and temperature using two long-period fiber gratings multiplexed in the wavelength domain is presented experimentally. For this, a mechanically induced long-period fiber grating (MI-LPFG) and a long-period fiber grating inscribed by a continuous-wave CO₂ laser (CO₂ LPFG) are connected in cascade. First, the transverse load and the temperature measurements were individually performed by the multiplexed long-period fiber gratings configuration. The MI-LPFG is subject to a transverse load variation from 0–2000 g with steps of 500 g, whereas the CO₂ LPFG is unloaded and they are kept at room temperature. Similarly, the CO₂ LPFG is subject to a temperature variation from 30 to 110 °C by increments of 20 °C, while the MI-LPFG with a constant transverse load of 2000 g is kept at room temperature. Subsequently, the simultaneous measurement of the transverse load and the temperature is performed by the multiplexed long-period fiber grating following the steps outlined above. According to the experimental results, the transverse load and temperature measurement present high repeatability for the individual and simultaneous process. Moreover, the multiplexed LPFGs exhibit low cladding-mode crosstalk of transverse load and temperature. The coarse wavelength-division multiplexing (CWDM) of long-period fiber gratings is an attractive alternative technique in optical fiber distributed sensing applications.

The scientific community has been interested in lophine’s versatility and usage in various applications. Research has shown that humic acid is a material that exhibits interference with lophine. Humic molecules associate with each other in supramolecular conformations through weak hydrophobic interactions at alkaline or neutral pH and hydrogen bonds at low pH. This work presents the characterization of a sensitive lophine layer based on water’s hydrogen ions (pH). We conducted a spectroscopy study to analyze how the absorbance at different amounts of lophine depends on pH. This study demonstrates the hyperchromic behavior of imidazole at various pH values, which may be utilized in an intrinsic fiber optic pH sensor. The dynamic range of the fiber optic sensor was 5 to 11.3 pH units. The sensor was developed by coating a thinned fiber with a sensitive lophine layer. It achieves a sensitivity of 0.27 dB/pH and a response time of 5 s.

A wavelength-selectable passively Q-switched erbium-doped fiber laser (EDFL) is experimentally demonstrated as a pulsed laser source for addressing selected acetylene P-branch absorption lines near 1.53 μm. The cavity combines interchangeable fiber Bragg gratings (FBGs) for coarse wavelength selection with temperature control of the selected FBG for fine wavelength positioning. Target absorption transitions were identified from the HITRAN database; their line positions were converted to the wavelength convention used in the experimental plots, giving P(7), P(9) and P(11) reference wavelengths of 1528.76 nm, 1529.94 nm, and 1531.17 nm, respectively. The laser output was amplified and launched into an acetylene-filled hollow-core fiber (HCF), and the transmitted spectra were monitored during gas filling and FBG thermal tuning. The source exhibited passively Q-switched operation from approximately 7 to 30 kHz over the investigated pump-power range, with pulse widths decreasing from about 12.3 μs to 3.5–4.0 μs. Short-term spectral measurements showed no resolvable central-wavelength drift within the 0.05 nm resolution of the optical spectrum analyzer (OSA) over 30 min. Thermal tuning produced relative transmission minima near the selected P-branch spectral positions, consistent with increased laser–line spectral overlap; these minima are used as wavelength-positioning indicators rather than quantitative absorption measurements. The results establish a compact wavelength-selectable pulsed source architecture for acetylene-filled HCF experiments and related gas–fiber photonic systems.