The influence of large-scale seafloor slope and average bottom sound speed on low-grazing-angle monostatic acoustic scattering

Variations in large-scale seafloor slope and average seabed sound speed account for a significant portion of the variations in scattering intensity observed in low-grazing-angle monostatic reverberation. Numerical modeling using a finite-difference solution to the elastic wave equation is used to quantify the effect of these large-scale parameters in interpretations of reverberation data. For hard rough seafloor (e.g., basalt), the results of the modeling suggest that the monostatic backscattering strength increases with increasing large-scale seafloor slope up to a slope of about 15 degrees dipping toward the incident direction. Once the grazing angle of the incident wavefield exceeds the critical grazing angle for the flat reference seafloor the backscattering intensity increases only slowly with increasing grazing angle. Similarly, average subseafloor sound speed has a significant effect. Seafloor with low sound speeds characteristic of soft bottoms (e.g., sediment) generate significantly weaker backscatter signals than seafloor with sound speeds characteristic of hard bottoms (e.g., basalt). The difference is that the shear waves can always be passed into soft bottoms because even for a flat seafloor there is no shear wave critical grazing angle.     

Multiple time scale simulations of metal crystal growth reveal the importance of multiatom surface processes

A method for extending atomistic computer simulations of solids beyond the nanosecond time scale was used to simulate metal crystal growth on the time scale of laboratory experiments. Transitions involving concerted motion of multiple atoms on the crystal surface are found to lead to remarkably smooth growth of pure Al(100). Cu(100) is found to grow with a rougher surface, consistent with experiments. Not only is the activation energy of the multiatom Al processes surprisingly low, but vibrational entropy also favors processes where many atoms are displaced.     

Electrochemically tuneable hydrogen bonding interactions between a phenyl-urea terminated dendrimer and phenanthrenequinone

Electrochemically tuneable hydrogen bonding interactions are described between a phenyl-urea terminated dendrimer and phenanthrenequinone.     

Model systems for flavoenzyme activity: relationships between cofactor structure, binding and redox properties

A series of flavins were synthesized bearing electron-withdrawing and -donating substituents. The electrochemical properties of these flavins in a nonpolar solvent were determined. The recognition of these flavins by a diamidopyridine (DAP) receptor and the effect this receptor has on flavin redox potential was also quantified. It was found that the DAP-flavin binding affinity and the reduction potentials (E(1/2)) for both the DAP-bound and unbound flavins correlated well with functions derived from linear free energy relationships (LFERs). These results provide insight and predictive capability for the interplay of electronics and redox state-specific interactions for both abiotic and enzymatic systems.     

Liquid alumina: detailed atomic coordination determined from neutron diffraction data using empirical potential structure refinement

The neutron scattering structure factor S(N)(Q) for a 40 mg drop of molten alumina (Al2O3) held at 2500 K, using a laser-heated aerodynamic levitation furnace, is measured for the first time. A 1700 atom model of liquid alumina is generated from these data using the technique of empirical potential structural refinement. About 62% of the aluminum sites are 4-fold coordinated, matching the mostly triply coordinated oxygen sites, but some 24% of the aluminum sites are 5-fold coordinated. The octahedral aluminum sites found in crystalline alpha-Al2O3 occur only at the 2% level in liquid alumina.     

A mathematical model for pollution in a river and its remediation by aeration

We present a simple mathematical model for river pollution and investigate the effect of aeration on the degradation of pollutant. The model consists of a pair of coupled reaction–diffusion–advection equations for the pollutant and dissolved oxygen concentrations, respectively. The coupling of these equations occurs because of reactions between oxygen and pollutant to produce harmless compounds. Here we consider the steady-state case in one spatial dimension. For simplified cases the model is solved analytically. We also present a numerical approach to the solution in the general case. The extension to the transient spatial model is relatively straightforward. The study is motivated by the crucial problem of water pollution in many countries and specifically within the Tha Chin River in Thailand. For such real situations, simple models can provide decision support for planning restrictions to be imposed on farming and urban practices.     

An oxo‐bridged centrosymmetric tetranuclear titanium compound

The title compound, octa‐tert‐butoxybis­[μ₃‐2,2′‐(N‐methyl­imino)­diethanolato]­di‐μ‐oxo‐tetratitanium(IV), [Ti₂O{(OCH₂CH₂)₂(NCH₃)}{(CH₃)₃CO}₄]₂ or [Ti₄(C₅H₁₁NO₂)₂(C₄H₉O)₈O₂], lies about an inversion centre, and displays the less usual zigzag configuration. One O atom of the N‐methyl­diethoxo­amine ligand bridges the symmetry‐related Ti atoms, while the other bridges the two independent Ti atoms, with the N atom binding to give a facial configuration. Four ^tBuO⁻ ligands and a bridging oxide complete the respective five‐ and sixfold coordination of the two Ti atoms. The Ti—O bond lengths range in a self‐consistent fashion from 1.7624 (17) to 2.0878 (18) Å, while the Ti—N bond length is 2.374 (2) Å.     

{N‐[2‐(η5‐Cyclopentadienyl)ethyl]‐4‐toluenesulfonamido‐N,O}(tetrahydrofuran‐O)bis(trifluoromethanesulfonato‐O)titanium(II)

The title compound, [Ti(CF₃O₃S)₂(C₁₄H₁₅NO₂S)(C₄H₈O)], contains a unique ligand system in which the Ti ion is bound to the N and O atoms of a 2‐p‐toluene­sulfon­amide ligand, which is linked by an ethyl group to a coordinated cyclo­penta­diene moiety. The distorted octahedral geometry about the Ti ion is completed by two tri­fluoro­methane­sulfonate ligands and a tetra­hydro­furan mol­ecule. Comparison with related compounds shows that both the Ti—N and Ti—O bonds of the sulfon­amide, although longer than normal values, indicate significant bonding interactions.     

Energy and line width in the induced emission of Mössbauer radiation

Summary Some promising schemes proposed for extending the range of lasers to the X-ray and gamma-ray regions are those involving a transition from a long-lived nuclear excited state. While metastable states allow the creation of conditions for population inversion, they also give rise to problems due to the narrowness of the expected line width. We discuss the line width of the radiation due to gamma transitions between excited states and derive a corrected relation for the cross-section in this case. Criteria for choosing an appropriate isotope are deduced from the corrected crosssection, showing that the problems derived from the narrowness of the line width can be avoided in a transition from an isomeric state to a lower short-lived excited state in which case the line width of the radiation is totally determined by the breadth of the lower excited state.

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Riassunto Alcuni schemi promettenti proposti per estendere il campo dei laser alle regioni dei raggi X e dei raggi gamma sono quelli che coinvolgono una transizione da uno stato eccitato nucleare a vita lunga. Mentre gli stati metastabili permettono la creazione delle condizioni per l’inversione della popolazione, essi danno luogo anche ai problemi dovuti alla ristrettezza dell’ampiezza della linea attesa. Si discute l’ampiezza di linea della radiazione dovuta alle transizioni gamma tra gli stati eccitati e si deduce una relazione corretta per la sezione d’urto in questo caso. Si deducono i criteri per scegliere un isotopo appropriato dalla sezione d’urto corretta, mostrando che i problemi che derivano dalla ristrettezza dell’ampiezza di linea si possono evitare in una transizione da uno stato isomerico a uno stato eccitato piú basso a vita breve, nel qual caso l’ampiezza di linea della radiazione si determina totalmente dalla larghezza dello stato eccitato piú basso.

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Резюме Были предложены обнадеживающие схемы для расширения области лазеров в рентгеновскую и гамма-области. Эти схемы вкяючают переход из долгоживущего ядерного возбужденного состояния. Так как метастабильные состояния допускают создание условий для инверсной заселенности, то они также приводят к проблемам, обусловленным узостью ожидаемой ширины линии. Мы обсуждаем ширину линии излучения, обусловленную гамма-переходами между возбужденными состояниями и выводим соотношение для поперечного сечения в этом случае. Выводятся критерии для выбора соответствующего изотопа из полученного поперечного сечения. Показывается, что проблемы, связанные с узостью ширины линии, можно обойти в случае перехода из изомерного состояния в низшее короткоживущее возбужденное состояние, причем в этом случае ширина линии излучения полностью определяется шириной низшего возбужденного состояния.