Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA.
Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011, USA.
Phys Rev Lett. 2023 Apr 21;130(16):166101. doi: 10.1103/PhysRevLett.130.166101.
Interstitial electron density ρ_{o} is offered as a direct metric for maximum strength in metals, arising from universal properties derived from an electron gas. ρ_{o} sets the exchange-correlation parameter r_{s} in density-functional theory. It holds also for maximum shear strength τ_{max} in polycrystals [M. Chandross and N. Argibay, Phys. Rev. Lett. 124, 125501 (2020)PRLTAO0031-900710.1103/PhysRevLett.124.125501]. Elastic moduli and τ_{max} for polycrystalline (amorphous) metals are linear with ρ_{o} and melting T_{m} (glass-transition T_{g}) temperature. ρ_{o} or r_{s}, even with rule-of-mixture estimate, predicts relative strength for rapid, reliable selection of high-strength alloys with ductility, as confirmed for elements to steels to complex solid solutions, and validated experimentally.
体电子密度 ρ_{o} 被用作金属最大强度的直接度量标准，这源于从电子气中得出的普遍性质。ρ_{o} 在密度泛函理论中确定了交换关联参数 r_{s}。它也适用于多晶中的最大剪切强度 τ_{max}[M. Chandross 和 N. Argibay, Phys. Rev. Lett. 124, 125501 (2020)PRLTAO0031-900710.1103/PhysRevLett.124.125501]。多晶（非晶）金属的弹性模量和 τ_{max} 与 ρ_{o} 和熔点 T_{m}（玻璃化转变温度 T_{g}）线性相关。ρ_{o} 或 r_{s}，即使使用混合规则估计，也可以预测高强度合金的相对强度，从而实现快速、可靠的选择，同时保持延展性，这已经在元素到钢到复杂固溶体的范围内得到了证实，并通过实验得到了验证。
