ReviewNanomaterials (Basel, Switzerland)2026
Molecular Dynamics Simulation of Nano-Aluminum: A Review on Oxidation, Structure Regulation, and Energetic Applications.
Review in Nanomaterials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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.
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.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
7 authors.
Funding
Abstract
Nano-aluminum (nAl), characterized by its high combustion enthalpy and enhanced reactivity, serves as a critical component in advanced energetic materials like solid propellants and micro-ignition devices. However, the atomic-scale mechanisms governing its core-shell structure evolution, oxidation dynamics, and interfacial interactions remain elusive to experimental probes due to spatiotemporal limitations. Molecular dynamics (MD) simulations, particularly the synergistic use of a ReaxFF reactive force field (for large-scale systems) and ab initio MD (for electronic-level accuracy), have emerged as a powerful tool to overcome this barrier. This review systematically delineates the oxidation mechanisms and core-shell structure regulation of nAl, with a focus on the multi-scale simulation paradigm integrating DFT, AIMD, and ReaxFF MD that directly supports nAl research. It critically examines the pivotal role of MD simulations in guiding the surface modification of nAl, elucidating combustion mechanisms at the atomic level, and designing interfaces in energetic composite systems. By synthesizing recent advances (2022-2025), this study establishes a clear structure-property relationship between microscopic features and macroscopic performance of nAl. Furthermore, it identifies prevailing challenges, including simulations under multi-physics loading, multi-scale bridging, and quantitative experiment-simulation validation that specifically affect nAl-based energetic systems. Finally, future research directions are prospected, encompassing the development of machine learning-empowered force fields tailored for nAl systems, multi-scale and multi-field coupling simulation frameworks targeting nAl applications, and closed-loop experiment-simulation systems for nAl-based energetic materials. This review aims to provide fundamental insights and a technical framework for the rational design and engineering application of nAl-based energetic materials in fields such as aerospace propulsion.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.