Collision Conditions Research Articles

CAN HELIUM ENVELOPES CHANGE THE OUTCOME OF DIRECT WHITE DWARF COLLISIONS?

ABSTRACT A pivotal feature for the viability of white dwarf (WD) collisions as SN Ia progenitors is that a significant fraction of the mass is highly compressed to the densities required for efficient 56Ni production before the ignition of the detonation wave. Previous studies have employed model WDs composed of carbon–oxygen (CO), whereas WDs typically have a non-negligible helium envelope. Given that helium is more susceptible to explosive burning than CO under the conditions of WD collision, a legitimate concern is whether or not early time He detonation ignition can lead to early time CO detonation, drastically reducing 56Ni synthesis. We investigate the role of He in determining the fate of WD collisions by performing a series of two-dimensional hydrodynamics calculations. We find that a necessary condition for non-trivial reduction of the CO ignition time is that the He detonation birthed in the contact region successfully propagates into the unshocked shell. We determine the minimal He shell mass as a function of the total WD mass that upholds this condition. Although we utilize a simplified reaction network similar to those used in previous studies, our findings are in good agreement with detailed investigations concerning the impact of network size on He shell detonations. This allows us to extend our results to the case with more realistic burning physics. Based on the comparison of these findings against evolutionary calculations of WD compositions, we conclude that most, if not all, WD collisions will not be drastically impacted by their intrinsic He components.

Adsorption and dehydrogenation of ammonia on vanadium and niobium nitride cluster cations

Reactions of vanadium and niobium nitride cluster cations, VnNm+ and NbnNm+ (n=3–6; m=n, n–1), with NH3 were studied using a guided ion beam tandem mass spectrometer. Two main reactions are observed at a near-thermal energy under single collision conditions: simple adsorption of NH3 and adsorption of decomposed NH (i.e., dehydrogenation of NH3). The total reaction cross section and the branching fraction between these two reactions change significantly with the number of atoms and the composition of the cluster. The specific equiatomic vanadium nitride clusters, V4N4+ and V6N6+, are relatively inert and exhibit only simple NH3 adsorption with low probabilities, which can be understood by considering the stable structures (cube and cuboid) resembling subunits of bulk VN. In contrast, most of the other clusters including Nb4N4+ are found to be highly reactive and give rise to the NH3 dehydrogenation. The multiple-collision reactions of NbnNm+ with (n,m)=(3,2), (4,3), and (4,4) result in the complete dehydrogenation of ammonia to give the product ions of NbnNmN2+.

Hadron multiplicities and chemical freeze-out conditions in proton-proton and nucleus-nucleus collisions

New results of the NA61/SHINE Collaboration at the CERN SPS on mean hadron multiplicities in proton-proton (p+p) interactions are analyzed within the transport models and the hadron resonance gas (HRG) statistical model. The chemical freeze-out parameters in p+p interactions and central Pb+Pb (or Au+Au) collisions are found and compared with each other in the range of the center of mass energy of the nucleon pair $\sqrt{s_{NN}}=3.2-17.3$ GeV. The canonical ensemble formulation of the HRG model is used to describe mean hadron multiplicities in p+p interactions and the grand canonical ensemble in central Pb+Pb and Au+Au collisions. The chemical freeze-out temperatures in p+p interactions are found to be larger than the corresponding temperatures in central nucleus-nucleus collisions.

Improving CSMA/CA network performance under hidden collision

AbstractDynamic spectrum access policy allows a secondary user (SU) to access a primary user (PU) channel when it is idle. However, the idle state may result from the PU's silent activities, which can be wrongly perceived as an opportunity for the SU to access the channel and lead to “hidden collision” when it effectively tries to access the channel under this condition. At best of our knowledge, this issue has yet to be addressed in the literature. In this paper, we will first define a three‐state model that describes hidden collision conditions, then propose a probabilistic model in which a transient state is added to force the SU to wait a certain period of time before accessing the channel, thereby translating into better protection for the PU. Based on this model and using Carrier Sense Multiple Access/Collision Avoidance protocol, we will evaluate the PU's and SU's throughput and delay with and without transient state as well as the gain in using our approach. Our computation results show a substantial improvement of the PU's throughput from 19.6 to 61.1%.

Oxidation of SO2 to SO3 by Cerium Oxide Cluster Cations Ce2O4(+) and Ce3O6(.).

Cerium oxide cationic clusters (CeO2)1-3(+) were generated through laser ablation and then reacted with sulfur dioxide (SO2) at ambient conditions in an ion trap reactor and those reactions were studied and characterized by combining the art of time-of-flight mass spectrometry (TOF-MS) with density functional theory (DFT) calculations. Molecule association and oxygen atom transfer (OAT) were observed for the CeO2(+) and (CeO2)2,3(+) reaction systems, respectively. The mechanistic analysis indicates that the weak Ce-O bond strength associated with the oxygen release capacity of cerium oxide clusters is considered as the key factor to achieve the oxidation of SO2. To our best knowledge, this research should be the first example to identify the OAT reactivity of metal oxide cluster ions toward sulfur dioxide under thermal collision conditions, and a fundamental understanding of the elementary oxidation of SO2 to SO3 is provided.

Reaction Dynamics of O((3)P) + Propyne: I. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Crossed Molecular Beam Experiments.

We performed synergic experimental/theoretical studies on the mechanism of the O((3)P) + propyne reaction by combining crossed molecular beams experiments with mass-spectrometric detection and time-of-flight analysis at 9.2 kcal/mol collision energy (Ec) with ab initio electronic structure calculations at a high level of theory of the relevant triplet and singlet potential energy surfaces (PESs) and statistical calculations of branching ratios (BRs) taking into account intersystem crossing (ISC). In this paper (I) we report the results of the experimental investigation, while the accompanying paper (II) shows results of the theoretical investigation with comparison to experimental results. By exploiting soft electron ionization detection to suppress/mitigate the effects of the dissociative ionization of reactants, products, and background gases, product angular and velocity distributions at different charge-to-mass ratios were measured. From the laboratory data angular and translational energy distributions in the center-of-mass system were obtained for the five competing most important product channels, and product BRs were derived. The reactive interaction of O((3)P) with propyne under single collision conditions is mainly leading to the rupture of the three-carbon atom chain, with production of the radical products methylketenyl + atomic hydrogen (BR = 0.04), methyl + ketenyl (BR = 0.10), and vinyl + formyl (BR = 0.11) and the molecular products ethylidene/ethylene + carbon monoxide (BR = 0.74) and propandienal + molecular hydrogen (BR = 0.01). Because some of the products can only be formed via ISC from the entrance triplet to the low-lying singlet PES, we infer from their BRs an amount of ISC larger than 80%. This value is dramatically large when compared to the negligible ISC reported for the O((3)P) reaction with the simplest alkyne, acetylene. At the same time, it is much larger than that (∼20%) recently observed in the related reaction of the three-carbon atom alkene, O((3)P) + propene at a comparable Ec. This poses the question of how important it is to consider nonadiabatic effects and their dependence on molecular structure for this kind of combustion reactions. The prevalence of the CH3 over the H displacement channels is not explained by invoking a preference for the addition on the methyl-substituted acetylenic carbon atom, but rather it is believed to be due to the different tendencies of the two addition triplet intermediates CH3CCHO (preferentially leading to H elimination) and CH3COCH (preferentially leading to CH3 elimination) to undergo ISC to the underlying singlet PES. It is concluded that the main coproduct of the CO forming channel is singlet ethylidene ((1)CH3CH) rather than ground-state ethylene. By comparing the derived BRs with those very recently derived from kinetics studies at room temperature and 4 Torr we obtained information on how BRs vary with collision energy. The extent of ISC is estimated to remain essentially constant (∼85%) with increasing Ec from ∼1 to ∼10 kcal/mol. The present experimental results shed light on the mechanism of the title reaction at energies comparable to those involved in combustion and, when compared with the results from the statistical calculations on the ab initio coupled PESs (see accompanying paper II), lead to an in-depth understanding of the rather complex reaction mechanism of O + propyne. The overall results are expected to contribute to the development of more refined models of hydrocarbon combustion.

Activation of Methane Promoted by Adsorption of CO on Mo2 C2 (-) Cluster Anions.

Atomic clusters are being actively studied for activation of methane, the most stable alkane molecule. While many cluster cations are very reactive with methane, the cluster anions are usually not very reactive, particularly for noble metal free anions. This study reports that the reactivity of molybdenum carbide cluster anions with methane can be much enhanced by adsorption of CO. The Mo2 C2 (-) is inert with CH4 while the CO addition product Mo2 C3 O(-) brings about dehydrogenation of CH4 under thermal collision conditions. The cluster structures and reactions are characterized by mass spectrometry, photoelectron spectroscopy, and quantum chemistry calculations, which demonstrate that the Mo2 C3 O(-) isomer with dissociated CO is reactive but the one with non-dissociated CO is unreactive. The enhancement of cluster reactivity promoted by CO adsorption in this study is compared with those of reported systems of a few carbonyl complexes.

Activation of Methane Promoted by Adsorption of CO on Mo2C2− Cluster Anions

AbstractAtomic clusters are being actively studied for activation of methane, the most stable alkane molecule. While many cluster cations are very reactive with methane, the cluster anions are usually not very reactive, particularly for noble metal free anions. This study reports that the reactivity of molybdenum carbide cluster anions with methane can be much enhanced by adsorption of CO. The Mo2C2− is inert with CH4 while the CO addition product Mo2C3O− brings about dehydrogenation of CH4 under thermal collision conditions. The cluster structures and reactions are characterized by mass spectrometry, photoelectron spectroscopy, and quantum chemistry calculations, which demonstrate that the Mo2C3O− isomer with dissociated CO is reactive but the one with non‐dissociated CO is unreactive. The enhancement of cluster reactivity promoted by CO adsorption in this study is compared with those of reported systems of a few carbonyl complexes.

Reactions of Ti- and V-Doped Cu Cluster Cations with Nitric Oxide and Oxygen: Size Dependence and Preferential NO Adsorption

Reactions of copper cluster cations doped with an early transition metal atom, CunTi(+) (n = 4-15) and CunV(+) (n = 5-14, 16), with NO and O2 were investigated at a near-thermal collision energy using a guided ion beam tandem mass spectrometer. Most of the clusters adsorb NO and O2 under single collision conditions, and this reaction is often followed by the release of Cu atoms. For both Ti- and V-doped Cu clusters, the total cross sections for the reaction with NO increase gradually with the cluster size up to n ≈ 11 and then decrease rapidly, whereas those with O2 are almost constant in n ≤ 12 and then decrease. The size dependence of the reactivity toward NO is found to correlate with that of the adsorption energy calculated by the density functional theory method; CunTi(+) clusters exhibit the larger reaction cross sections when they have the larger adsorption energies. The calculations of CunTi(+) also show that a structural transition from a Ti-exposed structure to Ti-encapsulated one occurs around n = 12. This indicates that a geometric property of the clusters, i.e., the position of the dopant atom, is a determining factor of reactivity. In addition, the Ti- and V-doping dramatically improves the reactivity of Cu cluster cations toward NO but it does not affect that toward O2 significantly. As a result, most of the Ti- and V-doped Cu clusters are more reactive toward NO than toward O2. We also studied the multiple-collision reaction of Cu7Ti(+) with NO and obtained the cluster dioxide, Cu3TiO2(+), as a product ion, which suggests that the dissociation of NO and the subsequent formation/release of N2 take place.

Radio frequency identification systems. Survey

Thepaper considers classification, design concepts and circuit engineering of radiofrequency identification devices. A survey on circuit designs for the readers and passive tags of the system is presented. The survey results indicate the perspectivity of implementation of particular communications protocols and of ultrawideband systems in order to provide multiple access under the collision conditions.

Production of projectile and target K-vacancy in near-symmetric collisions of 60–100 MeV Cu9+ ions with thin Zn target**Project supported by the Joint Funds of the National Natural Science Foundation of China (Grant No. U1332122).

We report studies on both target and projectile K-shell ionization by collisions of Cu9+ ions on the thin Zn target in the energy range of 60–100 MeV. In this work, the relative ratio for the production of the target to projectile K-vacancy is measured. The result shows that it almost remains stable over this energy range and has good consistency with the predictions by vacancy transfer via the 2pσ–1sσ rotational coupling, which gives experimental evidence for K-vacancy sharing between two partners. Furthermore, the discussion for comparisons between the experimental ionization cross sections and the possible theoretical estimations is presented. These comparisons suggest that the experimental data agree well with those predicted by the Binary–Encounter approximation (BEA) model but are not in good agreement with the modified BEA calculations. It allows us to infer that the direct ionization (and/or excitation) is of importance to initial K-vacancy production before 2pσ–1sσ transitions in the present collision condition.

Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures.

The reactivity of closed-shell gas phase cluster anions AuTi3O7- and AuTi3O8- with methane under thermal collision conditions was studied by mass spectrometric experiments and quantum chemical calculations. Methane activation was observed with the formation of AuCH3 in both cases, while the formation of formaldehyde was also identified in the reaction system of AuTi3O8-. The cooperative effect of the separated Au+ and O2- ions on the clusters induces the cleavage of the first C-H bond of methane. Further activation of the second C-H bond by a peroxide ion O22- leads to the formation of formaldehyde. This study shows that closed-shell species on metal oxides can be reactive enough to facilitate thermal H-CH3 bond cleavage and the subsequent conversion.

Sensitivity of multiplicity fluctuations to freeze-out conditions in heavy ion collisions

We study the sensitivity of the higher-order moments of produced particle multiplicity distributions to the chemical freeze-out parameters in relativistic heavy ion collisions using the Hadron Resonance Gas (HRG) model. We compare the obtained sensitivity level to the one extracted from the ratios of particle yields. We find that, for certain final state hadrons, the fluctuation measurements add significant information to the determination of the hadro-chemical freeze-out properties of the deconfined phase of matter obtained at RHIC and the LHC.

LOW TEMPERATURE FORMATION OF NITROGEN-SUBSTITUTED POLYCYCLIC AROMATIC HYDROCARBONS (PANHs)—BARRIERLESS ROUTES TO DIHYDRO(iso)QUINOLINES

Meteorites contain bio-relevant molecules such as vitamins and nucleobases, which consist of aromatic structures with embedded nitrogen atoms. Questions remain over the chemical mechanisms responsible for the formation of nitrogen-substituted polycyclic aromatic hydrocarbons (PANHs) in extraterrestrial environments. By exploiting single collision conditions, we show that a radical mediated bimolecular collision between pyridyl radicals and 1,3-butadiene in the gas phase forms nitrogen-substituted polycyclic aromatic hydrocarbons (PANHs) 1,4-dihydroquinoline and to a minor amount 1,4-dihydroisoquinoline. The reaction proceeds through the formation of a van der Waals complex, which circumnavigates the entrance barrier implying it can operate at very low kinetic energy and therefore at low temperatures of 10 K as present in cold molecular clouds such as TMC-1. The discovery of facile de facto barrierless exoergic reaction mechanisms leading to PANH formation could play an important role in providing a population of aromatic structures upon which further photo-processing of ice condensates could occur to form nucleobases.

Positive Mode LC-MS/MS Analysis of Chondroitin Sulfate Modified Glycopeptides Derived from Light and Heavy Chains of The Human Inter-α-Trypsin Inhibitor Complex*

The inter-α-trypsin inhibitor complex is a macromolecular arrangement of structurally related heavy chain proteins covalently cross-linked to the chondroitin sulfate (CS) chain of the proteoglycan bikunin. The inter-α-trypsin inhibitor complex is abundant in plasma and associated with inflammation, kidney diseases, cancer and diabetes. Bikunin is modified at Ser-10 by a single low-sulfated CS chain of 23-55 monosaccharides with 4-9 sulfate groups. The innermost four monosaccharides (GlcAβ3Galβ3Galβ4Xylβ-O-) compose the linkage region, believed to be uniform with a 4-O-sulfation to the outer Gal. The cross-linkage region of the bikunin CS chain is located in the nonsulfated nonreducing end, (GalNAcβ4GlcAβ3)(n), to which heavy chains (H1-H3) may be bound in GalNAc to Asp ester linkages. In this study we employed a glycoproteomics protocol to enrich and analyze light and heavy chain linkage and cross-linkage region CS glycopeptides derived from the IαI complex of human plasma, urine and cerebrospinal fluid samples. The samples were trypsinized, enriched by strong anion exchange chromatography, partially depolymerized with chondroitinase ABC and analyzed by LC-MS/MS using higher-energy collisional dissociation. The analyses demonstrated that the CS linkage region of bikunin is highly heterogeneous. In addition to sulfation of the Gal residue, Xyl phosphorylation was observed although exclusively in urinary samples. We also identified novel Neu5Ac and Fuc modifications of the linkage region as well as the presence of mono- and disialylated core 1 O-linked glycans on Thr-17. Heavy chains H1 and H2 were identified cross-linked to GalNAc residues one or two GlcA residues apart and H1 was found linked to either the terminal or subterminal GalNAc residues. The fragmentation behavior of CS glycopeptides under variable higher-energy collisional dissociation conditions displays an energy dependence that may be used to obtain complementary structural details. Finally, we show that the analysis of sodium adducts provides confirmatory information about the positions of glycan substituents.

Combined Experimental and Theoretical Study on the Formation of the Elusive 2-Methyl-1-silacycloprop-2-enylidene Molecule under Single Collision Conditions via Reactions of the Silylidyne Radical (SiH; X(2)Π) with Allene (H2CCCH2; X(1)A1) and D4-Allene (D2CCCD2; X(1)A1).

The crossed molecular beam reactions of the ground-state silylidyne radical (SiH; X(2)Π) with allene (H2CCCH2; X(1)A1) and D4-allene (D2CCCD2; X(1)A1) were carried out at collision energies of 30 kJ mol(-1). Electronic structure calculations propose that the reaction of silylidyne with allene has no entrance barrier and is initiated by silylidyne addition to the π electron density of allene either to one carbon atom (C1/C2) or to both carbon atoms simultaneously via indirect (complex forming) reaction dynamics. The initially formed addition complexes isomerize via two distinct reaction pathways, both leading eventually to a cyclic SiC3H5 intermediate. The latter decomposes through a loose exit transition state via an atomic hydrogen loss perpendicularly to the plane of the decomposing complex (sideways scattering) in an overall exoergic reaction (experimentally: -19 ± 13 kJ mol(-1); computationally: -5 ± 3 kJ mol(-1)). This hydrogen loss yields the hitherto elusive 2-methyl-1-silacycloprop-2-enylidene molecule (c-SiC3H4), which can be derived from the closed-shell cyclopropenylidene molecule (c-C3H2) by replacing a hydrogen atom with a methyl group and the carbene carbon atom by the isovalent silicon atom. The synthesis of the 2-methyl-1-silacycloprop-2-enylidene molecule in the bimolecular gas-phase reaction of silylidyne with allene enriches our understanding toward the formation of organosilicon species in the gas phase of the interstellar medium in particular via exoergic reactions of no entrance barrier. This facile route to 2-methyl-1-silacycloprop-2-enylidene via a silylidyne radical reaction with allene opens up a versatile approach to form hitherto poorly characterized silicon-bearing species in extraterrestrial environments; this reaction class might represent the missing link, leading from silicon-bearing radicals via organosilicon chemistry eventually to silicon-carbon-rich interstellar grains even in cold molecular clouds where temperatures are as low as 10 K.

Peridynamic simulations of brittle structures with thermal residual deformation: strengthening and structural reactivity of glasses under impacts

In glass research, the effect and influence of pre-deformation by thermal or chemical treatment is of great importance when configuring different mechanical properties or scratch resistance on the surface of glasses. In particular, such pre-deformation affects dynamic fracture or damage evolution when glass structures are under impact or collision conditions. Peridynamics provides a seamless approach for the simulation of dynamic damage evolution of the system under aggressive environments. Revising the pair interaction of each material point, the effect of pre-deformation is implemented, and the corresponding damage evolution can be simulated conveniently. Our approach is composed of two steps: first, a static solution is found via energy minimization with thermal boundary conditions in the peridynamic platform. Second, comparing the initial and the pre-deformed structures from the energy minimization, the effect of residual deformation, strengthening and reactive behaviour of brittle structures are seamlessly simulated. The developed methods are applied to the Prince Rupert’s drop and Bologna vial, which are classic examples of strengthened glasses. This study reports the first complete and successful simulation of dynamic behaviour of strengthened glasses, and a significant contribution in simulating residual stress behaviour in any material.

Strain rate sensitive steel constitutive models for finite element analysis of vessel-structure impacts

Civil infrastructure systems such as bridge piers, navigational guide walls, and protection structures that are located near navigable waterways are inherently at risk for being impacted by cargo vessels such as barges and ships. To safely design such systems to possess adequate vessel impact resistance, structural loads associated with potential vessel-structure collision conditions must be quantified in a conservative manner. While high-resolution finite element impact simulations may be employed to compute such loads, care must be exercised in defining the material characteristics of the vessel if conservative structural design loads are to be obtained. Importantly, constitutive relationships assigned to steel components in the vessel model must be capable of accounting for strain rate sensitivities and large-scale plastic deformations.In the present study, strain rate sensitive constitutive models were developed for two types of steel commonly utilized in marine construction in the United States—ASTM A36 and ASTM A1011. Tension tests were conducted over a wide range of strain rates (7.00 × 10−5 s−1 – 250 s−1) spanning from quasi-static to intermediate and high rates that are typically associated with vessel-structure impact events. A novel testing apparatus—employing an impact pendulum as an energy supply mechanism—was designed for this study to conduct intermediate to high-rate material testing. Features of the apparatus, discussed in this paper, overcome key problems encountered in other studies that have employed impact loading for tensile material testing. From the testing program, representative stress–strain relations and Cowper–Symonds strain rate sensitivity parameters were developed for the materials tested. Rate sensitivities of the two steel grades tested were found to be very similar to each other. Additionally, rate sensitivities from the present study agreed well with ultimate stress data measured in past studies of mild steel, but were found to be less rate-sensitive than yield stress data measured in past studies.

Closed-form solutions for oscillators with inelastic impacts

A class of vibrating systems with perfectly stiff amplitude limiters is considered by means of non-smooth time substitutions. The motion is represented as a combination of oscillating component, which is due to cyclic collisions with the limiters, and a slow decay caused by the gradual energy loss at collision times. A specific modification of the two variable expansions is used, where the non-smooth (triangle wave) temporal argument is viewed as a fast time while the energy decay is described in a slow time scale. As a result, closed-form analytical solutions are obtained that automatically satisfy collision conditions with the energy loss. Three qualitatively different basic types of vibrations are considered to cover periodic, frequency modulated, and amplitude–frequency modulated motions.

Modeling of the Effect of Cell Deformation Associated with Microbubble Collision in Centrifugation Field

Cell membranes are highly selective structures and prevent foreign objects, such as biomolecules and genes, from entering cells. Different carrier-based delivery methods have been developed and each method has its advantages and disadvantages. In previous article, a microbubble-based gene delivery method was developed to increase cell membrane permeability. In a high centrifugation field, cells deform and collide with microbubbles which induces intracellular pathways through cell membranes. This delivery method significantly increases delivery efficiency especially when using hard-to-deliver cells, such as stem cells and plant cells. To understand the mechanism of this delivery method, the structural behaviour of cell models under hydrodynamic collision pressure was analyzed by finite element analysis. Simulation results show that cells with more deformed structures experience higher strain on the cell membrane than cells with less deformed structures while the cells’ mechanical properties and the collision conditions were kept the same.