A new four-dimensional ab initio potential energy surface for N(2)O-He is constructed at the CCSD(T) level with an aug-cc-pVQZ basis set together with bond functions. The vibrational coordinates Q(1) and Q(3) of N(2)O are explicitly included, due to the strong coupling between the symmetric and asymmetric stretches of N(2)O. A global potential energy surface is obtained by fitting the original potential points to a four-dimensional Morse∕long range (MLR) analytical form. In the fitting, the ab initio noise in the long range region of the potential is smoothed over by theoretically fixed long range parameters. Two-dimensional intermolecular potentials for both the ground and the excited υ(3) states of N(2)O are then constructed by vibrationally averaging the four-dimensional potential. Based on the two-dimensional potentials, we use the path integral Monte Carlo algorithm to calculate the vibrational band origin shifts for the N(2)O-He(N) clusters using a first order perturbation theory estimate. The calculated shifts agree reasonably well with the experimental values and reproduce the evolution tendency from dimer to large clusters.

High temperature superconducting (HTS) magnets energized by flux pumps are capable of carrying heavy current without heat leakage derived from current leads and thus desirable for many applications. However, the soldering resistance is still an obstacle for the persistent operations of the HTS magnets. Here, we propose a closed-loop HTS magnet magnetized by flux pump with thermal switches. The magnet consists of closed-loop double-pancake (DP) coils wound by a rare-earth barium copper oxide (REBCO) tape on which a slit is cut to form a closed-loop ring within which current can flow without encountering the soldering resistance. Another REBCO tape is soldered on the closed-loop ring to form a pump bridge and a flux pump consists of a copper coil with iron core is set arround the pump bridge. There exist a group of manganese copper wires wound on the closed-loop ring and the pump bridge respectively as thermal switches. A piecewise semi-analytical solution is suggested to investigate the charging process by which the transport current in the magnet is calculated. Experiments are carried out to verify the feasibility and rationality of the magnet and the solution. The results show that the magnet can be operated in a persistent current mode, and thus, this study represents a practical solution for persistent operation of the HTS magnets. Besides, the proposed solution can effectively explain and predict the saturation current of the suggested magnet, which can, therefore, guide the design of other forms of the HTS magnets and flux pumps.

A six-dimensional ab initio potential energy surface (PES) for H2-N2O which explicitly includes the symmetric and asymmetric vibrational coordinates Q1 and Q3 of N2O is calculated at the coupled-cluster singles and doubles with noniterative inclusion of connected triple level using an augmented correlation-consistent polarized-valence quadruple-zeta basis set together with midpoint bond functions. Four-dimensional intermolecular PESs are then obtained by fitting the vibrationally averaged interactions energies for υ3(N2O) = 0 and 1 to the Morse∕long-range analytical form. In the fits, fixing the long-range parameters at theoretical values smoothes over the numerical noise in the ab initio points in the long-range region of the potential. Using the adiabatic hindered-rotor approximation, two-dimensional PESs for hydrogen-N2O complexes with different isotopomers of hydrogen are generated by averaging the 4D PES over the rotation of the hydrogen molecule within the complex. The band-origin shifts for the hydrogen-N2O dimers calculated using both the 4D PESs and the angle-averaged 2D PESs are all in good agreement with each other and with the available experimental observations. The predicted infrared transition frequencies for para-H2-N2O and ortho-D2-N2O are also consistent with the observed spectra.

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