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We present model calculations of the orientational potential of reference molecules sited at both of the two crystallographic positions of the cubic δ phase of nitrogen, displaying either spherical (2a-sites) or disclike (6c-sites) disorder. The single particle orientational potential obtained exhibits characteristic differences for the two crystallographic sites. The local energy barriers for the reorientation of the molecules were used to construct the p - T phase boundary line, first, between the δ and ? phase and, second between the phase with an almost free molecular reorientation and the one with orientational localization within the gδ phase observed in recent Raman investigations of solid nitrogen. 相似文献
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