Molecular Dynamics Simulation of the Mechanical Properties of Nanolayered Zr-Nb Alloys: Effects of Orientation and Layer Thickness.

Fugen Deng, Guiyu Liu, Jianhao Yan, Yulu Zhou, Yifang Ouyang

Abstract read

In one paragraph

Article in Materials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

–field-weighted citation impact

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3 · Its place in the literature

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1 citing paper in PubMed.

Molecular Dynamics Simulation: Comparative Investigation of Nanoscale CuAlMaterials (Basel, Switzerland) · 2026
Article

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5 · Who and what money

Authors and funding

5 authors.

Fugen DengState Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory for Relativistic Astrophysics, School of Physical Science and Technology, Guangxi University, Nanning 530004, China.ORCID 0009-0003-1862-6722

Guiyu LiuState Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory for Relativistic Astrophysics, School of Physical Science and Technology, Guangxi University, Nanning 530004, China.

Jianhao YanState Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory for Relativistic Astrophysics, School of Physical Science and Technology, Guangxi University, Nanning 530004, China.

Yulu ZhouState Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory for Relativistic Astrophysics, School of Physical Science and Technology, Guangxi University, Nanning 530004, China.ORCID 0000-0002-8305-5861

Yifang OuyangState Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite Structures, Guangxi Key Laboratory for Relativistic Astrophysics, School of Physical Science and Technology, Guangxi University, Nanning 530004, China.ORCID 0000-0002-9885-4316

Funding

National Natural Science Foundation of China 12364001

6 · The paper itself

Abstract

The mechanical performance of Zr-Nb dual-phase alloys is strongly influenced by the metastable β (body-centered cubic, BCC) phase and its crystallographic orientation, yet the underlying deformation mechanisms remain unclear. In this work, molecular dynamics (MD) simulations were conducted to investigate the compressive behavior of nanolayered Zr-Nb alloys with varying loading directions and BCC layer thickness (

Indexed as

BCC layer thicknesscritical resolved shear stressdual-phasemolecular dynamicsnucleationpeak stressstacking faultsstrength–ductility synergyZr–Nb alloys

Identifiers

PMID41976686

DOI10.3390/ma19071398

PMCPMC13073849

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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.