[Oral Presentation]氧化钇颗粒在Fe-O-Y熔体脱氧过程中多尺度形核生长模型

Organized By

Hohai University

Monash University

Co-organized by

Southeast University

Jiangxi University of Science and Technology

Northeast University

DUT-BSU Scientific Research and Innovation Center

Suzhou University of Science and Technology

State Key Laboratory of Structural Analysis, Optimization and CAE Software for Industrial Equipment

Sponsoring agency

KELI SDEM Software (Dalian) Co., Ltd.

Sugon Smart Computing Information Technology Co., Ltd.

Beijing Paratera Technology Co., Ltd.

Simpop Information Technology Co., Ltd.

Important Dates

Conference Announcement

December 2023, release First Round Announcement
Abstract Submission Deadline
March 31^th, 2024
Paper Submission Deadline
April 30^th, 2024
Registration
From January 1^st, 2024
Conference Schedule
May 31^st (Friday), 2024 On-Site Registration
June 1^st to 3^rd, 2024 Conference

氧化钇颗粒在Fe-O-Y熔体脱氧过程中多尺度形核生长模型

ID：272 Submission ID：166 View Protection：ATTENDEE Updated Time：2024-04-30 10:47:02 Hits：574 Oral Presentation

Start Time：Pending （Asia/Shanghai）

Duration：Pending

Session：[No Session] » [No Session Block]

No files

Abstract

本研究基于密度泛函理论对氧化钇团簇、纳米氧化钇颗粒和氧化钇晶体的热力学性质进行了计算和分析，建立了炼钢过程中钇脱氧形成的氧化钇颗粒的多尺度形核和生长模型。结果表明：基于经典形核理论计算得到的钢液中氧化钇颗粒临界形核半径为1.83~2.35 nm，基于纳米热力学计算得到的临界形核半径为2.15~3.16 nm。温度处于1800~2000 K范围内时，钇氧反应生成氧化钇团簇的ΔG<0，钢液中钇氧反应能够自发地形成氧化钇团簇；生成团簇的ΔG均大于生成宏观晶体的ΔG，因此团簇结构能够自发地转变为氧化钇晶体。以二步形核理论为基础，建立了“钇氧反应-氧化钇团簇-氧化钇临界晶核-纳米尺度生长-宏观氧化钇颗粒”多步热力学模型。

Keywords

密度泛函理论,氧化钇颗粒,形核机理,热力学性质,多尺度建模

Sponsored By

Hohai University

Panel of Computational Mechanics on Granular Materials, Working Party of Computational Mechanics, Chinese Society of Theoretical and Applied Mechanics

Jiangsu Society of Theoretical and Applied Mechanics