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Abstract <p>In this work, we study the melting stages of amorphous germanene via molecular dynamics (MD) simulations using atomistic models composed of 10<sup>4</sup> Ge atoms, with their interactions described by the Stillinger–Weber potential. The evolution of the structural and thermodynamic properties upon heating from amorphous germanene is investigated in detail. In addition, the influence of the heating rate on the melting process of the amorphous germanene is examined. Melting temperatures of 1450&#xa0;K and 1440&#xa0;K are found for heating rates of <InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(4\times {10}^{10} \text{K}/\text{s}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <mn>4</mn> <mo>×</mo> <msup> <mrow> <mn>10</mn> </mrow> <mn>10</mn> </msup> <mtext>K</mtext> <mo stretchy="false">/</mo> <mtext>s</mtext> </mrow> </math></EquationSource> </InlineEquation> and <InlineEquation ID="IEq2"> <EquationSource Format="TEX">\({10}^{13} \text{K}/\text{s}\)</EquationSource> <EquationSource Format="MATHML"><math> <mrow> <msup> <mrow> <mn>10</mn> </mrow> <mn>13</mn> </msup> <mtext>K</mtext> <mo stretchy="false">/</mo> <mtext>s</mtext> </mrow> </math></EquationSource> </InlineEquation>, respectively. The phase transition mechanisms differ depending on the heating rate. For the slow heating rate, the phase transition occurs as an amorphous-to-crystalline phase transition and then crystalline-to-liquid transition, while it occurs from an amorphous to a liquid state for the faster heating rate. We find that melting of amorphous and crystalline germanene does not follow Berezinskii–Kosterlitz–Thouless–Halperin–Nelson–Young (BKTNHY) theory.</p> Graphical Abstract <p></p>

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Melting of Amorphous Germanene: Influences of Heating Rate on Melting

  • 期刊论文

  • 发表日期：

    2025年12月15日

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  • Nguyen Hoang Giang,
  • Vo Van Hoang,
  • Vladimir Bubanja,
  • Nguyen To Nga

摘要

Abstract

In this work, we study the melting stages of amorphous germanene via molecular dynamics (MD) simulations using atomistic models composed of 104 Ge atoms, with their interactions described by the Stillinger–Weber potential. The evolution of the structural and thermodynamic properties upon heating from amorphous germanene is investigated in detail. In addition, the influence of the heating rate on the melting process of the amorphous germanene is examined. Melting temperatures of 1450 K and 1440 K are found for heating rates of \(4\times {10}^{10} \text{K}/\text{s}\) 4 × 10 10 K / s and \({10}^{13} \text{K}/\text{s}\) 10 13 K / s , respectively. The phase transition mechanisms differ depending on the heating rate. For the slow heating rate, the phase transition occurs as an amorphous-to-crystalline phase transition and then crystalline-to-liquid transition, while it occurs from an amorphous to a liquid state for the faster heating rate. We find that melting of amorphous and crystalline germanene does not follow Berezinskii–Kosterlitz–Thouless–Halperin–Nelson–Young (BKTNHY) theory.

Graphical Abstract