Low-temperature behaviour of ammonium nitrate by neutron diffraction

Ahtee, Maija; Smolander, Kimmo; Lucas, B. W.; Hewat, A.W.

doi:10.1107/s0108768183003237

Cited by 19 publications

(14 citation statements)

References 2 publications

(2 reference statements)

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“…A test of this method was conducted on ND4NO3 (V) at 5 K. The structure of this material has been determined (Ahtee, Smolander, Lucas & Hewat, 1983). It has space group Pccn with Z = 8 and a = 7.8909 (2), b = 7.9262 (1), c --9.8099 (2) A.…”

Section: Structure Solution Examplementioning

confidence: 99%

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Crystal structure determination by neutron powder diffraction using structural and packing constraints

Byrom¹,

Lucas²

1991

J Appl Cryst

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In the past, crystal structure determination of solids consisting of molecules (or atom groups) whose geometry and size are known approximately has often been attempted using neutron powder diffraction profile refinement techniques, but without inclusion of this information. A method of structure solution has therefore been developed to include it. The proposed method does not require a set of structure factors and thus avoids the problems encountered in separating peaks in a powder diffraction scan. A successful test was conducted with a previously determined (yet treated as unknown) crystal structure, where direct methods had failed to solve the structure due to incorrect peak separation.Two computer programs, MODEL and PARAM, that implement the method are described.

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Section: Structure Solution Examplementioning

confidence: 99%

“…These programs were tested using the previously determined structure of ND4NO3 (V) (Ahtee, Smolander, Lucas & Hewat, 1983).…”

Section: Introductionmentioning

confidence: 99%

Crystal structure determination by neutron powder diffraction using structural and packing constraints

Byrom¹,

Lucas²

1991

J Appl Cryst

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“…Five wellcharacterized AN crystal phases exist at atmospheric pressure. The highest temperature phase I is thermodynamically stable above 170 C, while the lowest temperature phase V is stable below -20 C [2][3][4][5][6][7][8]. Phase IV is the stable phase at room temperature and atmospheric pressure.…”

Section: Introductionmentioning

confidence: 99%

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

Thompson

Shan

2014

J. Phys.: Conf. Ser.

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Abstract. Ammonium nitrate mixed with fuel oil (ANFO) is a commonly used blasting agent. In this paper we investigated the shock properties of pure ammonium nitrate (AN) and two different mixtures of ammonium nitrate and n-dodecane by characterizing their Hugoniot states. We simulated shock compression of pure AN and ANFO mixtures using the Multi-scale Shock Technique, and observed differences in chemical reaction. We also performed a large-scale explicit sub-threshold shock of AN crystal with a 10 nm void filled with 4.4 wt% of n-dodecane. We observed the formation of hotspots and enhanced reactivity at the interface region between AN and n-dodecane molecules.

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“…The previously determined structure of ND4NO 3 (V) at 5 K (Ahtee, Smolander, Lucas & Hewat, 1983) was chosen as the first test of this method. The space group is Pccn, Z = 8, a = 7.8909 (2), b = 7.9262 (1) and c = 9.8099 (2)/~.…”

Section: Application To Ammonium Nitrate Nd4no 3 (V)mentioning

confidence: 99%

“…The method is similar to that of the program PROFAN (Jansen, Sch/ifer & Will, 1988). For illustration, the proposed method is applied to the previously determined structure of ammonium nitrate (phase V) (Ahtee, Smolander, Lucas & Hewat, 1983).…”

Section: Introductionmentioning

confidence: 99%

POLISH: computer program for improving the accuracy of structure-factor magnitudes obtained from powder data

Byrom¹,

Lucas²

1993

J Appl Cryst

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SHORT COMMUNICATIONS 137 principle yields the cylinder-half pipe combination for the shape of the three concentric hats. It provides for a wide diffraction range 0 < 20 < 180 °. We optimized the statistics over the sample grains for the whole diffraction range by using a cold sample spinner. To improve thermal contact, exchange gas is used during work at all temperatures. The lowest temperature of 8 K is reached by a compact construction with a full first-stage shielding of the cold head mountings, whereas the cooldown time of 2 h is achieved by using as little material as possible. Because of the wide diffraction range and the possibility of orienting the sample from the outside, the cryostat is a very versatile instrument. Hence, it also allows investigation of the orientation of, for example, thin films at 8 < T < 300 K.

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Low-temperature behaviour of ammonium nitrate by neutron diffraction

Cited by 19 publications

References 2 publications

Crystal structure determination by neutron powder diffraction using structural and packing constraints

Crystal structure determination by neutron powder diffraction using structural and packing constraints

Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

POLISH: computer program for improving the accuracy of structure-factor magnitudes obtained from powder data

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