結晶立體化學 的英文怎麼說
中文拼音 [jiējīnglìtǐhuàxué]
結晶立體化學
英文
crystal stereochemistry- 結 : 結動詞(長出果實或種子) bear (fruit); form (seed)
- 晶 : Ⅰ形容詞(光亮) brilliant; glittering Ⅱ名詞1. (水晶) quartz; (rock) crystal 2. (晶體) any crystalline substance
- 立 : 動1 (站) stand; remain in an erect position 2 (使豎立; 使物件的上端向上) erect; stand; set up...
- 體 : 體構詞成分。
- 學 : Ⅰ動詞1 (學習) study; learn 2 (模仿) imitate; mimic Ⅱ名詞1 (學問) learning; knowledge 2 (學...
- 結晶 : 1 (析出晶體) crystallize2 (晶體) crystal 3 (成果) crystallization; fruit; product; quintess...
- 立體 : 1 (三維的) three dimensional; stereoscopic2 [數學] (幾何體) solid; body立體彩色電視 three dim...
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Abstract : the effect of correction of self - consistent potential on electronic structure in simple cubic nanocrystal particles is calculated by means of the green ' s function method in the tight - binding approximation, taking only the nearest neighbor matrix elements into account. the numerical results show that the electronic energy spectrum is shifted, the chemical potential is not equal to the atomic energy level, the electronic density at each lattice point is changed, and the variation of electronic density at surface lattice point is the largest
文摘:在緊束縛近似下,只計及最近鄰的矩陣元,採用格林函數計算了自洽勢修正對簡立方納米晶體顆粒的電子結構的影響,發現電子能譜發生了移動,化學勢不等於格點原子能級,各格點的電子密度也發生了變化,其中以表面格點的電子密度變化最大。With the thermodynamic theories and techniques, it is relatively easy to determine the phase equilibrium data with enough accuracy, however there still exist much more difficulties in crystallization kinetics study even for a simple binary system. that is the reason that nucleation and crystal growth rate are generally represented in form of the empirical expressions. the crystallization kinetic is important for crystallizer design, process control and optimization, and it is strongly depended upon the accurate characterization of process information concerning with multiphase flows and the further disclose of its mechanisms with suitable mathematical models
熱力學理論和方法已足以獲得準確的相平衡關系;然而即使對于簡單的二元物系的結晶過程,晶核形成和晶體生長動力學的研究仍面臨許多困難,通常採用經驗模型表述,而動力學參數的準確性和可靠性是結晶器放大設計、過程式控制制與優化的關鍵,因此多相流信息的準確表徵、結晶機理的進一步揭示及建立起與之相適應的數學模型有著十分重要的學術研究和實際應用價值。Abstract : the light atom imaging method in high resolution transmission electron microscopy ( hrtem ) and its application in crystal structure analysis for a series of metastable oxides of copper, nickel and silver is described. the idea stemming from this method has been extended to show the possibility of observing surface structure in a series of rather thick films with the hrtem plan - view imaging mode
文摘:介紹了利用高分辨電子顯微學進行晶體結構分析的一種方法輕原子成像法的建立過程及其在銅、鎳、銀等金屬的初期氧化(硫化)產物結構分析中的應用.介紹了利用輕原子成像法的思想解決厚膜上觀察表面結構的可能性問題的新進展According to the raman selection rule and the pl measurement, it is reasonable to evaluate the quality of galnp / algalnp mqw by analyzing the relative intensity ratio of a1p - lo / to. ( 4 ) a new modified random element isodisplacement ( mrei ) model is set up to calculate the dependence between the long - wavelength optical phonon frequencies and the composition of iii - v - type ab1 - xcx mixed crystals. the second neighbor force constants are still assumed to be a linear variation with the composition, but the two first neighbor force constants can be evaluated to be a negative exponent variation with the composition, using the overlapped repulsive potential of the ion crystal combination
通過實驗我們找到了在這些結構參數上生產gainp algainpmqw的較理想的結果; ( 3 )首次用喇曼( raman )散射方法研究了常溫下的gainp algainp多量子阱結構,除了指認出喇曼光譜中各光學聲子模外,還結合樣品光致發光譜的測量結果,分析發現喇曼光譜中alp - lo to的相對強度比可以在一定程度上評定晶體gainp algainpmqw的生長質量; ( 4 )在修正的隨機元素等位移? mrei模型的基礎上建立了一個新模型,計算了ab _ ( 1 - x ) c _ x型?族半導體混晶的長波長光學聲子模頻率的組分變化關系。After geometry optimization, their energy band structure, densities of states were calculated and analysised. we also calculated the model of doping cr, which can change the energy band structure of cdgeas2, the result is valuable for decreasing optical absorption. through the energy analysised, it was suggested that a germanium - on - arsenic anti - site defect was the most possible defect which may be associated with the 5. 5 micron absorption, the result of analysis are agreement with the research of epr, so the calculates are accurate
運用密度泛函理論計算,建立純砷化鍺鎘晶體的結構模型並對之進行結構優化,使理論模型更加接近真實結構,從而研究純砷化鍺鎘晶體的能帶結構和態密度、光學性質;分別建立砷空位模型( vas - cdgeas2 ) ,鍺占砷位模型( ge / as - cdgeas2 ) ,分別計算它們的能帶結構、態密度、光學性質。Taking in - situ toughened silicon nitride as a design object, principle component analysis ( pca ) is applied to study the microstructure and mechanical properties, to find out the main microstructure controlling factors, and to simplify the characterization variables and criterions ; fuzzy neural networks ( fnns ) is also applied to develop a design expert system for this material, which can realize the forward prediction from processing, microstructure to mechanical properties, and backward design from mechanical properties or microstructure to processing ; monte - carlo method is applied to simulate the grain growth of this material, and then crack propagation is simulated, which is another way based on physics and chemistry to developing prediction models from processing until to mechanical properties
本文以自增韌氮化硅陶瓷為設計對象,運用主成分分析法( principlecomponentanalysis : pca )對自增韌si _ 3n _ 4陶瓷的顯微結構和力學性能進行數據空間降維,獲得自增韌si _ 3n _ 4陶瓷顯微結構控制的主要因素,進而簡化了表徵參量變量和準則;運用模糊神經網路( fuzzyneuralnetworks : fnn )建立了自增韌si _ 3n _ 4陶瓷設計專家系統,能實現工藝?微結構?性能的正向預測及反向設計;運用monte - carlo方法( mc )進行自增韌si _ 3n _ 4陶瓷的晶體生長模擬,然後進行裂紋擴展模擬,探索建立工藝?微結構?力學性能預測模型的思路。The main contents of this dissertation are as follows : ( 1 ) according to the set of equations governing the pr process, index changes in pr crystals induced by writing beams with different intensity profiles are theoretically analyzed and numerically simulated
所開展的工作以及得到的結論如下:從光折變動力學方程組出發對光折變晶體中光致折射率變化進行了理論分析,並建立了由寫入光的強度分佈得到光致折射率變化分佈的數值模擬方法。分享友人