Thermal expansion and isothermal compressibility of solid nitrogen

Heberlein, David C.; Adams, E. D.; Scott, Thomas Allan

doi:10.1007/bf00652513

Cited by 67 publications

(23 citation statements)

References 15 publications

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“…The probable structure of the van der Waals dimer (N~)~, was also analysed. [45,46,47], the most detailed study appears to be that of Heberlein et al and we have therefore compared our value with their result. Our calculated value was found to be smaller than the experimental value by about 26 per cent, a discrepancy which appears to exceed the moderately large experimental uncertainty.…”

Section: Calculations Using Final Potential Energy [Unctionmentioning

confidence: 71%

Towards an intermolecular potential for nitrogen

1984

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Section: Calculations Using Final Potential Energy [Unctionmentioning

confidence: 71%

Towards an intermolecular potential for nitrogen

1984

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“…For lower temperatures, ␣-N 2 becomes the stable phase. 30,31,[36][37][38][39][40][41][42] In ␣-N 2 , the centers of mass of the molecules are arranged in a face centered cubic ͑fcc͒ lattice and the molecular axes are along the diagonal of the cubic cells. Again, we emphasize that the model used in this work accurately describes the temperature for which the ␣-N 2 → ␤-N 2 transition occurs ͑40.5± 0.8 K compared to the experimental value of 35.6 K 31 ͒.…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulation of the homogeneous nucleation and of the growth of N2 crystallites

Leyssale

Delhommelle

Millot

2005

The Journal of Chemical Physics

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We report on a computer simulation study of the early stages of the crystallization of molecular nitrogen. First, we study how homogeneous nucleation takes place in supercooled liquid N(2) for a moderate degree of supercooling. Using the umbrella sampling technique, we determine the free energy barrier of formation for a critical nucleus of N(2). We show that, in accord with Ostwald's rule of stages, the structure of the critical nucleus is predominantly that of a metastable polymorph (alpha-N(2) for the state point investigated). We then monitor the evolution of several critical nuclei through a series of unbiased molecular dynamics trajectories. The growth of N(2) crystallites is accompanied by a structural evolution toward the stable polymorph beta-N(2). The microscopic mechanism underlying this evolution qualitatively differs from that reported previously. We do not observe any dissolution or reorganization of the alpha-like core of the nucleus. On the contrary, we show that alpha-like and beta-like blocks coexist in postcritical nuclei. We relate the structural evolution to a greater adsorption rate of beta-like molecules on the surface and show that this transition actually starts well within the precritical regime. We also carefully investigate the effect of the system size on the height of the free energy barrier of nucleation and on the structure and size of the critical nucleus.

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“…It is a first-order transition, as demonstrated by its volumetric change, see Manzhelii and Freiman [16], Heberlein [17], and Brookeman and Scott (0.311 cm 3 ·mol −1 , with u = 0.025 cm 3 · mol −1 ) [14]. According to the same source, hysteresis (observed at INTiBS) is to be attributed to the transition, being of first order.…”

Section: The α-β Transition In Nitrogenmentioning

confidence: 85%

The α–β Transition of Nitrogen

Lipiński¹,

Kowal²,

Szmyrka-Grzebyk³

et al. 2007

Int J Thermophys

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It is well-known that, aside from its triple point, nitrogen exhibits a solidto-solid transition at about 35 K that is of some interest as a secondary reference temperature. During the recently published highly accurate measurements of the triple point of nitrogen (Metrologia 43, 435 (2006)), an extensive study was made also of the solid α-β transition of nitrogen, using both the continuous heating method and the pulse-heating method. This transition is of significantly lower quality than the triple point of nitrogen. A very high thermal resistance and a large time constant characterize the transition. Therefore, even the determination of the self-heating of the thermometer requires a very long time. A value of T 90 = 35.620 K with an expanded uncertainty U = 8 mK for the coverage factor k = 2 was found, differing by +6 mK from the published CCT-recommended value. The reproducibility of the value was better than ±5 mK. In addition to the temperature value found for the transition, a comparison is made with previous measurements on this point, and an overview is given of the available information about it.

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Thermal expansion and isothermal compressibility of solid nitrogen

Cited by 67 publications

References 15 publications

Towards an intermolecular potential for nitrogen

Towards an intermolecular potential for nitrogen

Atomistic simulation of the homogeneous nucleation and of the growth of N2 crystallites

The α–β Transition of Nitrogen

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