potential energy surface 中文意思是什麼
potential energy surface
解釋
勢能面-
An ab initio potential energy surface of he - li2 complex
2體系勢能面的從頭計算研究 -
Floc properties may be described by properties as floc strength, specific surface area, surface potential and surface energy
絮凝物可以通過絮凝物強度，具體表面，表面潛力和表面能量來描述。 -
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。 -
Zno film is a novel - direct compound semiconductor with wide band gap energy of 3. 37ev and a exciton binding energy 60mev at room temperature. due to its the prerequisite for visible or ultraviolet light emission at room temperature, it has the tremendous potential applications for ultraviolet detectors, leds, lds. zno thin film is used widely and effectively in the fields of surface acoustic wave devices, solar cell, gas sensors, varistors and so on because of its excellent piezoelectrical performance
室溫下禁帶寬度為3 . 37ev ，激子束縛能為60mev ，具備了室溫下發射紫外光的必要條件，在紫外探測器、 led 、 ld等領域有著巨大的發展潛力； zno薄膜以其優良的壓電性能、透明導電性能等使其在太陽能電池、壓電器件、表面聲波器件、氣敏元件等諸多領域得到廣泛應用。 -
By analyzing the differentiae of the total cross sections ( tcs ), the differential cross sections ( dcs ), the partial wave cross sections ( pcs ), the change patterns of the cross sections and the influence on the cross sections because of the var iations in the mass of systems and the relative kinetic energy of incoming atoms for symmetric isotopically substituted systems he, ne, ar, kr, xe - h2, d2, t2 have been obtained. in this paper, we use the tang - toennies potential model for the inertia gas atoms - h2 systems, the murrell - sorbie potential surface with five parameters for the molecules h2, d2, t2. for the inertia gas atoms - d2, t2 systems, we use the same potential surface with the inertia gas atoms - h2 systems
通過分析he 、 ne 、 ar 、 kr 、 xe ? h _ 2 、 d _ 2 、 t _ 2各碰撞體系在總截面、微分截面和分波截面等方面的差異，總結出在h _ 2分子的對稱同位素替代情形下惰性氣體原子與h _ 2分子體系碰撞截面的變化規律；通過比較he 、 ne 、 ar 、 kr 、 xe ? h _ 2 、 d _ 2 、 t _ 2各體系在碰撞總截面、微分截面、分波截面等方面的不同，詳細討論了同位素替代碰撞體系中體系約化質量及入射原子的相對碰撞能量的變化對碰撞截面的影響，得出了這種影響的規律性。 -
The potential energy surface scan tells us that the lithium into or out of the graphene layers is the charge - discharge process of li - ion secondary batteries which concurs with the continuous charge transfer between lithium and the graphite layers which synchronizes with the shift of the graphite layer stacking sequences between the abab type and the relatively stable aaaa type
計算結果顯示，鋰離子嵌入碳層的過程中同時伴隨著鋰和石墨間發生電荷連續轉移，同時石墨碳層堆積方式由aaaa型變為abab型，二者協同進行，最終嵌鋰石墨相對于鋰在石墨表面體系較穩定。 -
The calculation of surface energy of metals al, cu and ni by using the molecular dynamics combining the eam potential, we calculated the surface energy of some high miller index surfaces belong to the ( 001 ) to ( 111 ) and ( 001 ) to ( 110 ) in al, cu and ni
金屬表面的表面能的計算基於半經驗嵌入原子勢（ eam ）的分子動力學方法，對al 、 cu 、 ni三種金屬位於[ 001 ]晶帶和[ - 110 ]晶帶的高密勒指數表面的表面能進行了分子動力學模擬計算，計算結果同已有的實驗結果相符合。 -
Based on the theories of hybrid / mixed finite element method, the generalized energy functional including stress, mechanical displacement, electric displacement, electric field and electric potential is used, with the electric - potential relations and the constitutive equations of piezoelectric materials constrained, hybrid energy functional including mechanical displacement, electric potential and stress is gained. moreover, splitting in - plane components and transverse components, the mixed energy functional in which mechanical displacement, transverse stresses and electric potential as basic variables is derived. with the use of surface stress parameters of sub - elements, the continuity of transverse stress at interfaces between layers is obtained
在回顧雜交混合有限元理論的基礎上，從包括位移、應力、應變、電勢、電位移、電場強度六個未知量的廣義壓電材料能量泛函出發，通過約束電場強度?電勢關系、應力與應變及電場強度的關系，得到僅包括位移、電勢、應力三個未知量的雜交變分泛函，利用一般層合板的雜交混合變分原理，分離面內分量和橫向分量，導出以位移、橫向應力、電勢為未知量的壓電層合板的修正變分泛函，作為壓電層合板的雜交元列式的理論基礎。 -
It is shown that the results calculated using the ccdwa are agreement with one of the accurate quantum mechanics employing the same potential. quantum mechanical tunneling is important in near threshold, and classical trajectory calculation is not good for prediction of the cross sections. the reaction cross sections calculated using different potentials is different, which show that the investigation of reaction cross section can provide evidence for test of accuracy of the potential energy surface
研究發現：勢能面相同時用ccdwa方法計算的截面和公認精確的量子力學結果比較符合；閾能附近的量子力學隧道效應較為顯著，準經典彈道方法不能很好的預言其截面；用不同勢能面計算的反應截面有差別，說明反應截面的研究能為檢驗勢能面的準確性提供依據。 -
Abstract : the effects of young ' s modulus on the wave velocity, on the potential energy and kinetic energy in arbitrarily volume in the maocinery longitudinal and on the vibration phase among incidance ware, reflex wave and transmission wave at the boundary surface of two kinds of medium are discusseed
文摘:本文就楊氏模量在機械縱波中的波速、任意體積內的勢能和動能及在兩種介質界面處入射波、反射波、透射波的振動周相關系中的作用作了闡述。 -
Wavepacket ; timedependent ; potential energy surface ; reaction cross section ; reaction rate constant ; ozone
波包含時勢能面反應截面反應速率臭氧 -
In summarizes the predecessor to the segmental arch surface and outside in flexure critical load computational method foundation, with the principle of the minimum potential energy, an analytical solution for the lateral critical bucking load of cable stayed arch bridge is studied
在總結前人對圓弧拱的面內，面外屈曲臨界荷載計算方法的基礎上，利用能量法，推導了斜拉拱橋的側傾臨界荷載計算公式。 -
Wavelengths or scales of surface heterogeneity are less than 20km. simulation results show that cbls do reach a quasi - stationary state correspondent to specified surfaces, after a long enough evolution. in this transition process and after that, horizontal statistics, i. e. mean potential temperature and vertical heat - flux, show profiles little differences to those over homogeneous flat surface. main effect of surface heterogeneity is to increase kinetic energy in cbl and the increase concentrates in the direction of surface heterogeneity. the time of cbl spent to reach its first peak of mean kinetic energy,
模擬結果表明，在充分長的時間后，邊界層達到一種適合於地面條件的準定常態。這種準定常態和向其過渡的過程中，水平平均的邊界層廓線性質，如平均位溫廓線垂直熱通量廓線等幾乎與平坦均勻地面的結果相同，或差異極小。地面非均勻性的主要作用是使邊界層動能增大，並以地面非均勻性變化方向的動能增加為主。 -
( 1 ) the microscopic theory of anchoring energy for nlc the interface energy aroused when lc is in contact with the solid can be seems as the sum of interaction potential energy between lc molecules and substrate surface molecules
內容分為兩個部分： （ 1 ）向列液晶界面錨定能的微觀理論認為液晶與固體接觸引起的界面能，是液晶分子與基板表面分子之間相互作用勢能之和。 -
Theoretical study on the potential energy surface of the reaction from 2h - azaphosphirene complex to 2h - 1, 2 - azaphosphole complex
氮磷雜茂絡合物反應機理的理論研究 -
Our dynamic calculation is carried out on a recent ab initio potential energy surface ( pes ) of jordan and gilbert. the tdwp method also is employed as a computational tool
然後在從頭計演算法得到的解析勢能面（ jordanandgilbert ）上，採用含時波包法進行了量子計算。 -
D hcl reaction has been carried out employing the blrs potential energy surface r schinke. j chem phys, 1980, 80 : 55105517. the calculated cross section values are close to the quasiclassical trajectory results and the rate constants are in excellent agreement with experimental results
D hcl反應進行了精確的三維含時量子波包計算。反應截面的計算結果與經典軌線結果符合得很好，反應速率的計算結果與實驗結果也符合得非常好。 -
Thirdly, a new anisotropic potential energy surface is presented for the he - no system according to the ms potential model. the potential is not only quite agreement with the accurate esmsv potential for the system, but also has the same form and part parameters for the ms potentials of other rare gases ( ar, kr, xe ) with no molecule
第三，根據ms勢模型給出了he - no系統的各向異性勢能面，該勢能面不僅與he - no較準確的勢能面esmsv符合較好，而且與其它惰性氣體原子（ ar 、 kr 、 xe ）與no分子的ms勢具有相同的形式和部分勢能參數。 -
Passivation on the surface of nanocrystalline zno was responsible for an energy potential high enough to prevent surface states trapping the electrons or holes photogenerated, it should block the pathway to form the luminescence centers as the vo * * and [ vo *, electron ] or [ vo * *, two electrons ] complex. a new visible luminescence mechanism was presented
納米氧化鋅（ zno ）表面的鈍化實際上是在氧化鋅（ zno ）的核和表面之間形成了大的勢壘阻止表面缺陷捕獲光生電子或光生空穴形成發光中心vo * *和[ vo * ， electron ]或[ vo * * ， twoelectrons ]復合體，同時，提出了一種新的可見發光機制，很好地解釋了實驗中觀察到的現象。 -
In the atmosphere, geopotential varies with altitudes and across latitudes. on an isobaric surface, higher geopotential implies higher potential energy and vice versa. just like streams flow according to the layout of terrain, air will flow from high to low geopotential regions
在等壓面天氣圖上，位勢高的地方位能較高，位勢低的地方位能較低，高空的氣流會由前者流向後者，情況有點像河川根據山脊高低的分佈而流動一樣。
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