Implanted b ion in the pyc interphase came into being b4c , and reacted with oxygen and sodium sulfate producing b2o3 預(yù)測(cè)了b離子注入pyc界面相后,經(jīng)高溫處理生成的碳化硼能夠和氧、硫酸鈉反應(yīng)生成氧化硼。
2 . thermodynamics and md methods were used to study the mechanism of oxidation and corrosion resistance of pyc interphase by implanting b ion 首次用熱力學(xué)計(jì)算和分子動(dòng)力學(xué)方法研究了pyc界面相注入b離子對(duì)c sic復(fù)合材料抗氧化性及抗腐蝕性能的影響。
It is shown that cte of the composites decrease gradually with pyc interphase thickness increasing when it is in a certain thickness range ( about 70 ~ 220nm ) 結(jié)果表明,當(dāng)界面層厚度處于一定范圍(約70 220nm )內(nèi)時(shí), c sic復(fù)合材料的熱膨脹系數(shù)隨熱解碳厚度的增加而逐漸降低。
The result of md simulation means that : ( 1 ) the microstructure in the amorphous carbon has no obvious change , the slippage which is parallel to the fiber axes in the graphite slices of the pyc interphase was found ; ( 2 ) bulk moduli of every part of interphase diminished , young ' s moduli in all three direction of amorphous carbon diminished , young ' s moduli of the graphite slices in the direction of parallel to the fiber radial decreased , and ones in the direction of parallel to the fiber axes increased 分子動(dòng)力學(xué)模擬結(jié)果表明, ( 1 )界面相內(nèi)部無定形碳部分微結(jié)構(gòu)無明顯變化,石墨片層部分沿纖維軸向滑移; ( 2 )界面相模量發(fā)生變化,界面相區(qū)域各部分的體積彈性模量降低,無定形碳部分及石墨片層部分垂直于纖維軸向的楊氏模量降低,平行于纖維軸向的楊氏模量升高。
In this paper , the methods of atomic simulation , such as molecular mechanics ( mm ) and molecular dynamics ( md ) , have been used to study the evolvement of microstructure and properties of pyc interphase of c / sic composite . the influences of the evolvement on the mechanism properties and environment properties of c / sic composite have been investigated also via the use of cerius soft package 本文正是用原子級(jí)模擬的一些方法,如分子力學(xué)、分子動(dòng)力學(xué)等,借助cerius ~ 2材料設(shè)計(jì)軟件來研究c sic復(fù)合材料熱解碳界面相區(qū)域的微結(jié)構(gòu)及性能演變,及其對(duì)復(fù)合材料整體力學(xué)性能及環(huán)境性能的影響。