Dynamical Entanglement of Vibrations in Integrable Dimer and Small Molecules

By means of the reduced-density linear entropy,we investigate the properties of dynamical entanglement of vibrations in integrable dimer and realistic small molecules which are initially in the two-mode squeezed vacuum state.It is found that the entropy of the integrable dimer is periodic for weak coupling strength c1 and small squeezing parameter r,and there exists a beat phenomenon for strong c1 and large r.Moreover,the entropy of the small molecules is quasi-periodic for small r,and the beat phenomenon occurs in the entropy evolution of the two molecules C2D2 and SO2 for large r.Our results might be used for molecular quantum computing based on vibrational states.     

An Analytical APproach to the Turbulence—Relaxed State in Tokamak Plasmas

Starting from the continuity, temperature, and motion equations of the trapped electron fluid in general tokamak magnetic field with positive or reversed shear and the definition of Lagrangian invariant, dL/dt≡(\partial_t+ u•▽)L=0, where u is convective velocity, the trapped electron dynamics is considered in the following two assumptions: (i) the turbulence is low frequency electrostatic, and (ii) L is a functional only of the density n, temperature T, and magnetic field B, and the effect of perturbation potential φ is included in the convective velocity u, i.e., u is a functional of n, T, B, and φ. The Lagrangian invariant hidden in the trapped electron dynamics is strictly found: L=ln[(n/B)^c₁(T/B^2/3)^c₂], where c₁ and c₂ are dimensionless changeable parameters and c₁∝c₂. From this Lagrangian invariant the turbulent particle and electron thermal transport scaling laws are derived: 〈n>_ψq(ψ)=const. and 〈T^3/2>_ψq(ψ)=const., which, in the limit of large aspect ratio, reduce to n(r)q(r)=const. and T^3/2(r)q(r)=const., respectively. The latter two scaling laws are compared with existent experimental results, being in good agreement.     

铜铅离子胁迫下玉米污染程度的光谱识别

重金属铜离子(Cu2+)与铅离子(Pb2+)污染对玉米叶片光谱的影响微弱、隐蔽而难于探测。研究中设置不同浓度Cu2+, Pb2+胁迫的玉米盆栽实验,测定了玉米叶片光谱、叶片中Cu2+, Pb2+含量与叶绿素相对含量,分析了Cu2+, Pb2+污染胁迫下玉米叶片光谱响应特征,并选取480～670与670～750 nm范围来进行分析,在光谱维中定义了光谱微分差信息熵指数与在频率域中通过谐波分析提取了前三次谐波振幅(c₁, c₂与c₃)指数,并用所定义的指数探测分别受Cu2+, Pb2+胁迫玉米叶片光谱微弱差异。实验结果表明,在480～670与670～750 nm范围内,玉米叶片中重金属离子浓度越大,其光谱微分差信息熵就越大;在480～670 nm波段,谐波分解后第一谐波振幅c₁与第二谐波振幅c₂可用于识别Cu2+, Pb2+污染程度;在670～750 nm波段,第一谐波振幅c₁、第二谐波振幅c₂与第三谐波振幅c₃可用于识别Cu2+污染程度,而c₂则可以识别Pb2+污染程度,污染胁迫越大振幅越大。在480～670与670～750 nm波段内,光谱微分差信息熵与前三次谐波振幅可作为识别玉米受Cu2+, Pb2+污染胁迫程度的指数,从光谱维与频率域两种维度来识别玉米受Cu2+, Pb2+胁迫程度的方法可行,文中定义的两类指数可稳健、可靠地探测与识别玉米受Cu2+, Pb2+影响所产生的光谱微弱差异,研究结果对利用高光谱来探测植被受重金属污染胁迫程度具有一定的参考价值。     

Study of the Bc—Meson Lifetime

We in terms of optical theorem estimate the lifetime of Bc meson with the parameters which are determined by fitting the data for the lifetimes and inclusive semileptonic decays of various B and D mesons.In the estimation,we find that the bound-state effects are important,and take them into account carefully in the framework which attributes the effects to the effective masses of the decay heavy quarks in the inclusive processes.We also find that to c liftime the peguin contribution is enhanced due to possible interference between peguin and the tree part c1O1 c2O2,.     

Total Quantum Statistical Entropy of Reissner-Nordstrom Black Holes: in Dirac Field Case

The total quantum statistical entropy of Reissner-Nordstrom black holes in Dirac field case is evaluated in this article. The space-time of the black holes is divided into three regions: region 1 (r>r_o), region 2 ( r_o > r > r_i), and region 3 (r_i >r>0), where r_o is the radius of the outer event horizon, and r_i is the radius of the inner event horizon. The total quantum statistical entropy of Reissner-Nordstrom black holes is S=S₁+S₂+S₃, where S_i (i=1,2,3) is the entropy, contributed by regions 1,2,3. The detailed calculation shows that S₂ is neglectfully small. S₁=w_t(π²/45)k_b(A_o/ε²β³), S₃=-w_t(π²/45)k_b(A_i/ε²β³), where A_o and A_i are, respectively, the areas of the outer and inner event horizons, w_t=2^s[1- 2^-(s+1)], s=d/2, d is the space-time dimension, here d=4, s=2. As r_i approaches r_o in the extreme case the total quantum statistical entropy of Reissner-Nordstrom black holes approaches zero.     

CO2在气体水合物结构特性的固体核磁共振波谱与拉曼光谱实验研究

天然气水合物是蕴含着巨大能源潜力的非常规能源,2017年和2020年两次我国南海探索性试采的成功,加快了天然气水合物项目的进展。二氧化碳置换开采法,既能开发CH₄,又能封存CO₂。同时水合物法分离烟气中CO₂具有很好的应用前景,而CO₂在气体水合物的微观结构和特性尚不明确,实际应用存在一定的未知影响。为了考察其特性,利用13C固体核磁技术（NMR）和拉曼光谱（Raman）进行CO₂置换CH₄水合物、合成13CO₂-H₂-CP混合水合物实验表征,讨论CO₂在水合物中的定量问题,研究CO₂分子在笼型结构中的分布,探讨CO₂分子在气体水合物中的结构类型和特性。结果表明：（1）利用Raman费米低频共振1 277.5 cm-1峰积分得到CO₂在I型大笼（51262笼）的占有率为0.978 2,CH₄在Ⅰ型小笼（512笼）和大笼（51262笼）的占有率为0.059 3和0.009 5,水合数7.61,Raman费米高频共振1 381.3 m-1峰积分得到CO₂在51262笼的占有率为0.984 3,CH₄在512笼和51262笼的占有率为0.023 7和0.003 3,水合数7.70,CO₂几乎占满了大笼,CO₂气体的加入会导致水合物中,CH₄的大、小笼占有率均大幅度降低,置换后水合数略低于纯甲烷水合物,未标记的CO₂水合物在核磁中较难测出信号,CO₂气体置换后CH₄在小笼的占有率仅0.097 5,大笼占有率为0.317 2,两种方法差异主要原因为核磁的CO₂未出峰。（2）利用拉曼费米低频共振1 273.4 cm-1峰积分得到H₂、CO₂在512笼、CP在51262的占有率分别为0.124 8,0.304 2和0.997 8,水合数9.16;Raman费米高频共振1 380.6 cm-1峰积分得到H₂、CO₂在512笼、CP在51262的占有率分别为0.123 6,0.577 1和0.985 1,水合数7.12。13C标记CO₂分子在水合物中达到较好的固体核磁分辨率,首次确认CO₂在Ⅱ型小笼中的化学位移为124.8 ppm,计算得到CO₂的小笼占有率为0.783 1,CP的大笼占有率为0.971 8,水合数6.70,Raman高频频费米共振峰（1 380.6 cm-1）定量计算与13C NMR结果更接近。（3）对CO₂的13C NMR化学位移进行了归属,并结合Raman与13C NMR的对比分析,为CO₂水合物的13C NMR研究和拉曼定量提供参考。     

点缺陷浓度对非化学计量比L12型结构的A13Sc弹性性能的影响

采用密度泛函理论与Wagner-Schottky热力学模型计算了金属间化合物L1₂-A1₃Sc中点缺陷浓度与温度、成分间的关系. 结果表明: 在考察的温度区间(T=300-1200 K), 理想化学计量比L1₂-A1₃Sc中的点缺陷主要为Al空位和Sc空位, 且缺陷浓度较低(在1200 K时仅约为10^-6). 当L1₂-A1₃Sc偏离化学计量比成分时, 富Al成分端的点缺陷主要为Al反位与Sc空位, 且两种缺陷的浓度相当; 富Sc成分端的点缺陷则主要为Sc反位. 利用超胞模型进一步计算了含点缺陷L1₂-A1₃Sc晶体的弹性常数, 并计算预测了点缺陷形式和浓度对其弹性性能的影响. 结果表明: 在理想化学计量比成分附近, 点缺陷的引入均会降低非化学计量比L1₂-Al₃Sc晶体的杨氏、剪切和体积弹性模量, 增加非化学计量比L1₂-Al₃Sc弹性性能的各向异性, 但是对其脆-韧性的影响不大.     

坐标空间中构造的Breit夸克势与介子和夸克偶素的质量劈裂

构造夸克间的有效的相互作用势函数是强子物理中的重要研究课题,也是学科前沿问题之一.本文对坐标空间中的Breit夸克势函数的完整形式实施消除奇异因子的替代方法,构造出一个有效的夸克势.除了第一项库仑势和第七项常数项势,对其他的项都需进行重新构造,即对第二项和第四项做δ(r)→μ~3e~(-μr)/8π替代,对第三项做1/r→(1-e-μr)/r替代,对第五项和第六项做1/r~3→1-(1+μr)e~(-μr)/r~3替代,由此重新构造出新的势函数,然后用来计算质量劈裂,检验构造势的有效性.为此计算了一组含重介子和夸克偶素的质量劈裂.计算中屏蔽质量μ不是简单的常数,而是取与夸克质量m_i,m_j有关的变量.研究计算发现,只有当屏蔽质量μ取为关于夸克平均质量μ_a=(m_i+m_j)/2的洛朗级数形式μ=c_(-3)(μ_a+0.512)-3+c_(-2)(μ_a+0.512)~(-2)+c_(-1)(μ_a+0.512)~(-1)+c_0+c_1(μ_a+0.512)时重介子η_c-J/ψ,η_b-Υ(1s),还有χ_(c0)-χ_(c1)-χ_(c2)等的夸克偶素之间质量劈裂精确达到实验值,同时其他介子尤其是6个D介子质量精度都比以往得到较大幅度的改善.因此,本文构造出一个有效的夸克势模型.     

吸附氢分子的振动态及熵的计算

用第一性原理方法研究了H_2在(MgO)_9及(AlN)_(12)团簇上的吸附态、振动模式及熵.分析表明,吸附体系的振动中有六个简正模式可归为氢分子的振动;由于氢分子质量很小,零点能修正对吸附能有重要影响.利用振动配分函数计算了吸附氢分子的熵,表明吸附态H_2的熵主要决定于较低的同相振动的频率,并不完全与吸附强度相关;在标准大气压下70—350 K的温度范围内,吸附H_2的熵与气态H_2的熵之间存在很好的线性关系,吸附后H_2的熵减小约10.2R.     

Magnetic entropy change and magnetic properties of LaFe_(11.5)Si_(1.5) after controlling the Curie temperature by partial substitution of Mn and hydrogenation

Magnetic properties and magnetic entropy changes of La(Fe_(1-x)Mn_x)_(11.5)Si_(1.5)H_y compounds are investigated. Their Curie temperatures are adjusted to room temperature by partial Mn substitution for Fe and hydrogen absorption in 1-atm(1 atm = 1.01325×10~5Pa) hydrogen gas. Under a field change from 0 T to 2 T, the maximum magnetic entropy change for La(Fe_(0.99)Mn_(0.01))_(11.5)Si_(1.5)H_(1.61)is-11.5 J/kg. The suitable Curie temperature and large value of ?S_m make it an attractive potential candidate for the room temperature magnetic refrigeration application.     

镁-锌时效合金中一维过渡相β′2的晶体学研究

采用X射线衍射方法,显示出镁-5Wt％锌合金在165℃时效初期有两种过渡相β′₁和β′₂共存。对细杆状过渡相,β′₂的一维衍射现象进行了详细分析。这种过渡相具有六角点阵结构,其[0001]轴是杆的长轴,它的点阵常数及与母相间的取向关系经测定为:a_(β′2)=13.2?,c_(β′2)=5.25?,[0001]_{(β′2)关键词：}     

Stochastic resonance for a metapopulation system driven by multiplicative and additive colored noises

We investigate the stochastic resonance(SR) phenomenon induced by the periodic signal in a metapopulation system with colored noises. The analytical expression of signal-to-noise is derived in the adiabatic limit. By numerical calculation, the effects of the addictive noise intensity, the multiplicative noise intensity and two noise self-correlation times on SNR are respectively discussed. It shows that:(i) in the case that the addictive noise intensity M takes a small value, a SR phenomenon for the curve of SNR appears; however, when M takes a large value, SNR turns into a monotonic function on the multiplicative noise intensity Q.(ii) The resonance peaks in the plots of the multiplicative noise intensity Q versus its self-correlation time τ1 and the addictive noise intensity M versus its self-correlation time τ2 translate in parallel. Meanwhile, a parallel translation also appears in the plots of τ1 versus Q and τ2 versus M.(iii) The interactive effects between self-correlation times τ1 and τ2 are opposite.     

Theoretical verification of intermolecular hydrogen bond induced thermally activated delayed fluorescence in SOBF-Ome

Thermally activated delayed fluorescence (TADF) molecules have attracted great attention as high efficient luminescent materials. Most of TADF molecules possess small energy gap between the first singlet excited state (S₁) and the first triplet excited state (T₁) to favor the up-conversion from T₁ to S₁. In this paper, a new TADF generation mechanism is revealed based on theoretical simulation. By systematic study of the light-emitting properties of SOBF-OMe in both toluene and in aggregation state, we find that the single SOBF-OMe could not realize TADF emission due to large energy gap as well as small up-conversion rates between S₁ and T₁. Through analysis of dimers, we find that dimers with intermolecular hydrogen bond (H-bond) are responsible for the generation of TADF, since smaller energy gap between S₁ and T₁ is found and the emission wavelength is in good agreement with experimental counterpart. The emission properties of SOBF-H are also studied for comparison, which reflect the important role of H-bond. Our theoretical results agree ith experimental results well and confirm the mechanism of H-bond induced TADF.     

(3 + 1)-Dimensional Integrable Models Possessing Infinite Dimensional Virasoro-Type Symmetry Algebra

Using a series of concrfte reGzations of the centerless Virasoro-type symmetry algebra [σ(ƒ₂(t), σ(ƒ₁(t))] = σ(ƒ₁ƒ₂ - ƒ₂ƒ₁), various (3+1)-dimensional integrable equations under the condition that they possess Kac-Moody-Virasoro-type infinite dimensional symmetry algebra are obtained.     

High—Dimensional Integrable Models with Infinitely Dimensional Virasoro—Type Symmetry Algebra

Using every realization of the Virasoro-type symmetry algebra[σ(f1),σ(f2)]=σ(f1f2-f2f1),we can obtain various high-dimensional integrable models under the meaning that they possess infinitely many symmetries,By means of a concrete realization ,many(3 1)-dimensional equations which possess Kac-Moody-Virasoro-type infinite dimensional symmetry algebras are obtained.     

P-v criticality and heat engine efficiency for Bardeen Einstein-Gauss-Bonnet AdS black hole

In this paper,we discuss the P-v criticality and the heat engine efficiency in the Bardeen EinsteinGauss-Bonnet (EGB) AdS black hole space-time.From the P-v plane in the extended phase space,we find that the Bardeen EGB-AdS black hole conforms to Van der Waals (VdW) liquid-gas systems in the extended phase space,and P_cv_/T_c=0.369 of the Bardeen EGB-AdS black hole system is between 0.3333 of the Gauss-Bonnet AdS black hole system and 0.375 of the VdW gas system in the 5-dimensions.Then we construct a heat engine by taking the Bardeen EGB-AdS black hole as the working substance,and consider a rectangle heat cycle in the P-v plane.We find that two cases with different Bardeen parameter e and Gauss-Bonnet parameter a both have the same situation,i.e.as the entropy difference between small black hole and large black hole S2 increases,the heat engine efficiency will increase.Furthermore,as the Bardeen parameter e increases,the efficiency will decrease.However,for the Gauss-Bonnet parameter a,the result is contrary.By comparing with the well-know Carnot heat engine efficiency,we have found the efficiency ratioη/η_c versus entropy S_2 is bounded below l,so it is coincided with the thermodynamical second law.     

First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

The thermodynamic properties of LiBC are investigated by using the full-potential linearlzed muffin-tin orbital method （FP-LMTO） within the frame of density functional theory （DFT） and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio （c/a）/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions （Li-B bonds or Li-C bonds） are more sensitive to temperature and pressure than intralayer ones （B-C bonds）, as gives rise to the extreme lattice anisotropy in the bulk hop LiBC.     

非对称双原子分子在输运扩散中的取向效应

本文建立了同时具有化学势梯度和温度梯度的非平衡系统,研究非对称双原子分子的输运扩散行为.研究发现,双原子分子在非平衡输运中具有取向效应.浓度梯度与温度梯度使双原子分子在输运中产生的大小原子取向的方向刚好相反,沿着梯度的正方向,前者使小原子在前,后者使大原子在前.通过最小熵产生原理,解释了取向的物理机制.研究结果对于深刻理解非平衡条件下物质的输运与其形态的关系具有理论意义.     

KAM theory analysis of the dynamics of three coaxial vortex rings

The equations of motion of three coaxial vortex rings in Euclidean 3-space are formulated as a Hamiltonian system. It is shown that the Hamiltonian function for this system can be written as the sum of a completely integrable part H₀ (related to the motion of three point vortices in the plane) and a non-integrable perturbation H₁. Then it is proved that when the vortex strengths all have the same sign and the ratio of the mean distances among the rings is very small in comparison to the mean radius of the rings, H₁/H₀1. Moreover, it is shown that H₁/H₀ is very small for all time for certain initial positions of the rings under the same assumptions. It is proved that the decomposition of the Hamiltonian and the estimates carry over to a reduced form of the system in coordinates moving with the center of vorticity and having one less degree of freedom. Then KAM theory is applied to prove the existence of invariant two-dimensional tori containing quasiperiodic motions. The existence of periodic solutions is also demonstrated. Several examples are solved numerically to show transitions from quasiperiodic and periodic to chaotic regimes in accordance with the theoretical results.