Nanoscale characterization of space weathering in lunar samples.

Nanoscale Fourier transform infrared (Nano-FTIR) imaging and spectroscopy correlated with photoluminescence measurements of lunar Apollo samples with different surface radiation exposure histories reveal distinct physical and chemical differences associated with space weathering effects. Analysis of two sample fragments: an ilmenite basalt (12016) and an impact melt breccia (15445) show evidence of intrinsic or delivered Nd and an amorphous silica glass component on exterior surfaces, whereas intrinsic Cr and/or trapped electron states are limited to interior surfaces. Spatially localized 1050 cm/935 cm band ratios in Nano-FTIR hyperspectral maps may further reflect impact-induced shock nanostructures, while shifts in silicate band positions indicate accumulated radiation damage at the nanoscale from prolonged space weathering due to micrometeorites, solar wind, energetic x-rays and cosmic ray bombardment.

Inelastic Triatom-Atom Quantum Close-Coupling Dynamics in Full Dimensionality: All Rovibrational Mode Quenching of Water Due to the H Impact on a Six-Dimensional Potential Energy Surface.

The rovibrational level populations, and subsequent emission in various astrophysical environments, are driven by inelastic collision processes. The available rovibrational rate coefficients for water have been calculated using a number of approximations. We present a numerically exact calculation for the rovibrational quenching for all water vibrational modes due to collisions with atomic hydrogen.

Fine-structure resolved rovibrational transitions for SO + H collisions.

Cross sections and rate coefficients for sulfur monoxide (SO) + H collisions are calculated using a full six-dimensional (6D) potential energy surface (PES). The coupled states (CS) approximation is used to compute fine-structure resolved cross sections for rovibrational transitions between states with v = 0-2, where v is the vibrational quantum number of the SO molecule. The CS calculations for Δv = 1 are benchmarked against close-coupling (CC) results for spin-free interactions.

Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H.

Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD( = 1, = 0) + H → D + H(' = 0, ') at collision energies between 1 and 10 000 cm are presented, and a Feshbach resonance in the low-energy regime, below the reaction barrier, is observed for the first time. The resonance is attributed to coupling with the vibrationally adiabatic potential correlating to the = 1, = 1 level of the HD molecule, and it is dominated by the contribution from a single partial wave.

Inelastic vibrational dynamics of CS in collision with H using a full-dimensional potential energy surface.

We report a six-dimensional (6D) potential energy surface (PES) for the CS-H2 system computed using high-level electronic structure theory and fitted using a hybrid invariant polynomial method. Full-dimensional quantum close-coupling scattering calculations have been carried out using this potential for rotational and, for the first time, vibrational quenching transitions of CS induced by H2. State-to-state cross sections and rate coefficients for rotational transitions in CS from rotational levels j1 = 0-5 in the ground vibrational state are compared with previous theoretical results obtained using a rigid-rotor approximation.