Evidence map›Paper›PMID 39833581›Full record

ArticleJournal of molecular modeling2025

Molecular dynamics simulation of CL-20 based high temperature resistant PBX.

Ya-Fang Chen, Bao-Guo Wang, Chun-Guang Wang

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Ya-Fang ChenSchool of Environmental and Safety Engineering, North University of China, Taiyuan, 030051, China.
Bao-Guo WangSchool of Environmental and Safety Engineering, North University of China, Taiyuan, 030051, China. wangbaoguo1970@outlook.com.
Chun-Guang WangShanxi Jiangyang Chemical Industry Corporation, Taiyuan, 030041, Shanxi, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextTo address the issue that the output charge in existing Deflagration to Detonation Transition (DDT) detonators cannot withstand high temperatures of 200 °C, and to improve the output performance of the detonator, a CL-20 (Hexanitrohexaazaisowurtzitane) based polymer bonded explosive (PBX) was investigated as the primary charge material for the detonator. To select the most suitable binder for thermal resistance, molecular dynamics (MD) simulations were employed to evaluate the performance of different binders at various crystal planes and temperatures. The results indicate that among the five PBXs models, CL-20/F

methodsMolecular dynamics (MD) simulations were carried out using the Materials Studio software to calculate the binding energies, trigger bond lengths, and mechanical properties of five PBX models at different crystal planes at 298 K, and at various temperatures on the (0 1 1) crystal plane after a 1 ns NPT dynamics simulation. The total MD simulation time was 1 ns, with a time step of 1 fs, and the COMPASS force field was employed throughout the simulation.

Indexed as

CL-20Materials studioMolecular dynamicsPolymer bonded explosive (PBX)

Identifiers

PMID39833581

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.