X-ray emission for Ar11+ ions impacting on various targets in the collisions near the Bohr velocity

X-ray emission from the collisions of 3 MeV Ar¹¹⁺ ions with V, Fe, Co, Ni, Cu, and Zn is investigated. Both the x-rays of the target atom and projectile are observed simultaneously. The x-ray yield is extracted from the original count. The inner-shell ionization cross section is estimated by the binary encounter approximation model and compared with the experimental result. The remarkable result is that the Ar K-shell x-ray yield is diminished with the target atomic number increasing, which is completely opposite to the theoretical calculation. That is interpreted by the competitive consumption of the energy loss for the ionization of inner-shell electrons between the projectile and target atom.     

Nucleon effective mass splitting and density-dependent symmetry energy effects on elliptic flow in heavy ion collisions at E_(lab)= 0.09 ～ 1.5 GeV/nucleon

By incorporating an iso spin-dependent form of the momentum-dependent potential in the ultra-relativistic quantum molecular dynamics(UrQMD) model,we systematically investigate effects of the neutron-proton effective mass splitting m*_(n-p)=m*_n-m*_p/m and the density-dependent nuclear symmetry energy E_(sym)(ρ) on the elliptic flow v_2 in~(197)Au+~(197) Au collisions at beam energies from 0.09 to 1.5 GeV/nucleon.It is found that at higher beam energies(≥0.25 GeV/nucleon) with the approximately 75 MeV difference in slopes of the two different E_(sym)(ρ),and the variation of m*_(n-p) ranging from-0.03 to 0.03 at saturation density with isospin asymmetry δ=(ρ_n-ρ_p)/ρ-0.2,the E_(sym)(ρ) has a stronger influence on the difference in v_2 between neutrons and protons,i.e.,v_2~n-v_2~p,than m*_(n-p) has.Meanwhile,at lower beam energies(≤0.25 GeV/nucleon),v_2~n-v_2~p is sensitive to both the E_(sym)(ρ) and the m*_(n-p).Moreover,the influence of m*_(n-p) on v_2~n-v_2~p is more evident with the parameters of this study when using the soft,rather than stiff,symmetry energy.     

Readjustment of the Bohr stopping force from energies of keV/n to a few tens of MeV/n ions in elemental targets

An analytical approach for the electronic stopping force for non-relativistic energies that has no adjustable parameters has been developed. The approach combines the Bohr model for the close collisions and the Firsov model for the distant collisions. In order to combine the two models, a probabilistic model was introduced. We have applied our model to ¹⁶O in ¹²C, ¹⁶O in ²⁷Al, ⁸⁴ Kr in ²⁷Al, ⁵Li in ¹²C, ¹²C in ¹²C, and ¹³²Xe in ¹²C systems and compared with SRIM/MSTAR software, the original Bohr model, the Firsov model and available experimental data. We have found that the calculated electronic stopping force values are in agreement with the general qualitative behaviour of the electronic stopping force as a function of particle velocity reported in the literature. The proposed analytical formula is expected to be valid for other projectile-target combinations but more experimental data are needed to verify this assumption.     

三维非连续变形分析方法碰撞分析及其应用

将具有完备动力学理论的非连续变形分析(DDA)方法应用于块体碰撞研究。基于三维DDA(3D DDA)方法,按时步输出块体碰撞过程速度变化和接触嵌入量,进而得到块体碰撞恢复系数、冲量、冲击力。以此为参考指标,采用斜抛、面-面对心等碰撞模型,验证3D DDA方法模拟块体碰撞的有效性,并将3D DDA方法应用于多米诺骨牌倾倒、滚石边坡成灾及防护等算例分析,探讨了多米诺骨牌倾倒机制、滚石启动及运动行为、滚石灾害防护方案。结果表明:多米诺骨牌间距越大,同一块体被碰撞时间越迟,其最终稳定时间也越迟,与下一块体碰撞的动能越大;滚石运动呈侧向平动及转动三维运动特征,每一次碰撞,均引起动能、轨迹或状态的显著变化;滚石拦挡设施弹簧刚度越大,越先达到最大冲击力,最大冲击力随弹簧刚度的增加而减小;可结合树木阻挡效应,耗散滚石动能,降低滚石飞跃高度,使滚石灾害减轻或控制在防护范围以内。     

Screening gas-phase chemical kinetic models: Collision limit compliance and ultrafast timescales

Detailed gas-phase chemical kinetic models are widely used in combustion research, and many new mechanisms for different fuels and reacting conditions are developed each year. Recent works have highlighted the need for error checking when preparing such models, but a useful community tool to perform such analysis is missing. In this work, we present a simple online tool to screen chemical kinetic mechanisms for bimolecular reactions exceeding collision limits. The tool is implemented on a user-friendly website, cloudflame.kaust.edu.sa, and checks three different classes of bimolecular reactions; (ie, pressure independent, pressure-dependent falloff, and pressure-dependent PLOG). In addition, two other online modules are provided to check thermodynamic properties and transport parameters to help kinetic model developers determine the sources of errors for reactions that are not collision limit compliant. Furthermore, issues related to unphysically fast timescales can remain an issue even if all bimolecular reactions are within collision limits. Therefore, we also present a procedure to screen ultrafast reaction timescales using computational singular perturbation. For demonstration purposes only, three versions of the rigorously developed AramcoMech are screened for collision limit compliance and ultrafast timescales, and recommendations are made for improving the models. Larger models for biodiesel surrogates, tetrahydropyran, and gasoline surrogates are also analyzed for exemplary purposes. Numerical simulations with updated kinetic parameters are presented to show improvements in wall-clock time when resolving ultrafast timescales.     

Stoichiometry-Controlled Synthesis of Nanoparticulate Mixed-Metal Oxyhydroxide Oxygen Evolving Catalysts by Electrochemistry in Aqueous Nanodroplets

Mixed-metal oxyhydroxides—especially those of Ni and Fe—are one of the most active classes of materials known for catalyzing the oxygen evolution reaction (OER). Here, nanoparticulate mixed metal oxyhydroxides (of Ni, Fe, and Co) were prepared on an electrode surface by electrochemical reaction of a precursor solution encapsulated in aqueous nanodroplets (AnDs), with each of the droplets containing 10 s of attoliters of fluid. Electrode reactions and synthesis can be monitored in situ by electrochemistry as single AnD stochastically lands and interacts with the working electrode. Resultant metal oxyhydroxide nanoparticles can be size and composition controlled precisely by modulating the precursor solution stored in the AnD. Nanoparticulate metal oxyhydroxides were implemented as catalysts for the OER and exhibited superior catalysis compared to their thin-film counterparts, demonstrating a hundred-thousand-fold enhancement in atom efficiency at comparable turnover rates.     

Radical-Bridged Heterometallic Single-Molecule Magnets Incorporating Four Lanthanoceniums

The syntheses and magnetic properties of organometallic heterometallic compounds [K(THF)₆]{Co^I[(μ₃-HAN)RE₂Cp*₄]₂} ( 1-RE ) and [K(Crypt)]₂{Co^I[(μ₃-HAN)RE₂Cp*₄]₂} ( 2-RE ) containing hexaazatrinaphthylene radicals (HAN⋅³⁻) and four rare earth (RE) ions are reported. 1-RE shows isolable species with ligand-based mixed valency as revealed by cyclic voltammetry (CV) thus leading to the isolation of 2-RE via one-electron chemical reduction. Strong electronic communication in mixed-valency supports stronger overall ferromagnetic behaviors in 2-RE than 1-RE containing Gd and Dy ions. Ac magnetic susceptibility data reveal 1-Dy and 2-Dy both exhibit slow magnetic relaxation. Importantly, larger coercive field was observed in the hysteresis of 2-Dy at 2.0 K, indicating the enhanced SMM behavior compared with 1-Dy . Ligand-based mixed-valency strategy has been used for the first time to improve the magnetic coupling in lanthanide (Ln) SMMs, thus opening up new ways to construct strongly coupled Ln-SMMs.     

High-Spin and Reactive Fe13 Cluster with Exposed Metal Sites

Atomically defined large metal clusters have applications in new reaction development and preparation of materials with tailored properties. Expanding the synthetic toolbox for reactive high nuclearity metal complexes, we report a new class of Fe clusters, Tp*₄W₄Fe₁₃S₁₂ , displaying a Fe₁₃ core with M−M bonds that has precedent only in main group and late metal chemistry. M₁₃ clusters with closed shell electron configurations can show significant stability and have been classified as superatoms. In contrast, Tp*₄W₄Fe₁₃S₁₂ displays a large spin ground state of S=13. This compound performs small molecule activations involving the transfer of up to 12 electrons resulting in significant cluster rearrangements.     

碰撞池-电感耦合等离子体质谱法测定芝麻中痕量的锗

建立了碰撞池-电感耦合等离子体质谱法测定芝麻中痕量的锗元素(germanium , Ge)。采用微波消解,碰撞池(KED模式)-电感耦合等离子体质谱检测,在线引入内标元素铑(Rh),同时消解液中加入3%正戊醇增敏。结果 3 % 正戊醇可使_⁷⁴Ge的上机检测信号强度提高2.85倍,_⁷⁴Ge校正曲线线性相关系数为1.00000,检出限为0.0555 μg/kg,加标回收率为92.0%~106%,相对标准偏差(relative standard deviation, RSD%)为2.6%~4.3%。采用建立的方法测定7种国家标准物质,检测结果均在认定值范围内,RSD%为2.5%~8.8%。结论 该方法灵敏度高、准确,可实现批量检测,适用于芝麻中痕量锗的检测。