Magnetic nanoparticles with average size 30 nm were utilized to build three-dimensional framework structures-nanotrusses. In dual-phase Ni/NiO nanoparticles, there is a strong correlation between the amount of magnetic Ni and the final size and shape of the nanotruss. As it decreases, the length of the individual nanowires within the trusses also decreases, caused by a higher degree of branching of the wires. The position and orientation of the non-magnetic material within the truss structure was also investigated for the different phase compositions. For lower concentrations of NiO phase, the electrically conducting Ni-wire framework is maintained through the preferential bonding between the Ni crystals. For larger concentrations of NiO phase, the Ni-wire framework is interrupted by the NiO. The ability to use nanoparticles that are only partly oxidized in the growth of nanotruss structures is of great importance. It opens the possibility for using not only magnetic metals such as pure Ni, Fe, and Co, but also to use dual-phase nanoparticles that can strongly increase the efficiency of e.g. catalytic electrodes and fuel cells.

Dehydroabietic acid (DHAA) is a naturally occurring component of pine resin that was recently shown to open voltage-gated potassium (KV) channels. The hydrophobic part of DHAA anchors the compound near the channel’s positively charged voltage sensor in a pocket between the channel and the lipid membrane. The negatively charged carboxyl group exerts an electrostatic effect on the channel’s voltage sensor, leading to the channel opening. In this study, we show that the channel-opening effect increases as the length of the carboxyl-group stalk is extended until a critical length of three atoms is reached. Longer stalks render the compounds noneffective. This critical distance is consistent with a simple electrostatic model in which the charge location depends on the stalk length. By combining an effective anchor with the optimal stalk length, we create a compound that opens the human KV7.2/7.3 (M type) potassium channel at a concentration of 1 µM. These results suggest that a stalk between the anchor and the effector group is a powerful way of increasing the potency of a channel-opening drug.

Tunable nanostructures that feature a high surface area are firmly attached to a conducting substrate and can be fabricated efficiently over significant areas, which are of interest for a wide variety of applications in, for instance, energy storage and catalysis. We present a novel approach to fabricate Fe nanoparticles using a pulsed-plasma process and their subsequent guidance and self-organization into well-defined nanostructures on a substrate of choice by the use of an external magnetic field. A systematic analysis and study of the growth procedure demonstrate that nondesired nanoparticle agglomeration in the plasma phase is hindered by electrostatic repulsion, that a polydisperse nanoparticle distribution is a consequence of the magnetic collection, and that the formation of highly networked nanotruss structures is a direct result of the polydisperse nanoparticle distribution. The nanoparticles in the nanotruss are strongly connected, and their outer surfaces are covered with a 2 nm layer of iron oxide. A 10 μm thick nanotruss structure was grown on a lightweight, flexible and conducting carbon-paper substrate, which enabled the efficient production of H2 gas from water splitting at a low overpotential of 210 mV and at a current density of 10 mA/cm2.

The growth of nanoparticles in plasma is modeled for situations where the growth is mainly due to the collection of ions of the growth material. The model is based on the classical orbit motion limited (OML) theory with the addition of a collision-enhanced collection (CEC) of ions. The limits for this type of model are assessed with respect to three processes that are not included: evaporation of the growth material, electron field emission, and thermionic emission of electrons. It is found that both evaporation and thermionic emission can be disregarded below a temperature that depends on the nanoparticle material and on the plasma parameters; for copper in our high-density plasma this limit is about 1200 K. Electron field emission can be disregarded above a critical nanoparticle radius, in our case around 1.4 nm. The model is benchmarked, with good agreement, to the growth of copper nanoparticles from a radius of 5 nm-20 nm in a pulsed power hollow cathode discharge. Ion collection by collisions contributes with approximately 10% of the total current to particle growth, in spite of the fact that the collision mean free path is four orders of magnitude longer than the nanoparticle radius.

The morphology and physical properties of thin films deposited by vapor condensation on solid surfaces are predominantly set by the processes of island nucleation, growth, and coalescence. When deposition is performed using pulsed vapor fluxes, three distinct nucleation regimes are known to exist depending on the temporal profile of the flux. These regimes can be accessed by tuning deposition conditions; however, their effect on film microstructure becomes marginal when coalescence sets in and erases morphological features obtained during nucleation. By preventing coalescence from being completed, these nucleation regimes can be used to control microstructure evolution and thus access a larger palette of film morphological features. Recently, we derived the quantitative criterion to stop coalescence during continuous metal vapor flux deposition on insulating surfaces—which typically yields 3-dimensional growth—by describing analytically the competition between island growth by atomic incorporation and the coalescence rate of islands [Lü et al., Appl. Phys. Lett. 105, 163107 (2014)]. Here, we develop the analytical framework for entering a coalescence-free growth regime for metal vapor deposition on insulating substrates using pulsed vapor fluxes, showing that there exist three distinct criteria for suppressing coalescence that correspond to the three nucleation regimes of pulsed vapor flux deposition. The theoretical framework developed herein is substantiated by kinetic Monte Carlo growth simulations. Our findings highlight the possibility of using atomistic nucleation theory for pulsed vapor deposition to control morphology of thin films beyond the point of island density saturation.

The morphology transition from the thermodynamically favorable to the unfavorable phase during growth of free-standing copper nanoclusters is studied by molecular dynamics simulations. We give a detailed description of the kinetics and thermodynamics of the process. A universal mechanism of a solid-solid transition, from icosahedral to decahedral morphology in nanoclusters, is proposed. We show that a formation of distorted NC during the growth process with islands of incoming atoms localized in certain parts of the grown particle may shift the energy balance between Ih and Dh phases in favour of the latter leading to the morphology transition deep within the thermodynamic stability field of the former. The role of diffusion in the morphology transition is revealed. In particular, it is shown that fast diffusion should suppress the morphology transition and favour homogeneous growth of the nanoclusters.

The initial formation stages (i.e., island nucleation, island growth, and island coalescence) set characteristic length scales during growth of thin films from the vapor phase. They are, thus, decisive for morphological and microstructural features of films and nanostructures. Each of the initial formation stages has previously been well-investigated separately for the case of Volmer-Weber growth, but knowledge on how and to what extent each stage individually and all together affect the microstructural evolution is still lacking. Here, we address this question using growth of Ag on SiO2 from pulsed vapor fluxes as a case study. By combining in situ growth monitoring, ex situ imaging and growth simulations we systematically study the growth evolution all the way from nucleation to formation of a continuous film and establish the effect of the vapor flux time domain on the scaling behaviour of characteristic growth transitions (elongation transition, percolation and continuous film formation). Our data reveal a pulsing frequency dependence for the characteristic film growth transitions, where the nominal transition thickness decreases with increasing pulsing frequency up to a certain value after which a steady-state behaviour is observed. The scaling behaviour is shown to result from differences in island sizes and densities, as dictated by the initial film formation stages. These differences are determined solely by the interplay between the characteristics of the vapor flux and time required for island coalescence to be completed. In particular, our data provide evidence that the steady-state scaling regime of the characteristic growth transitions is caused by island growth that hinders coalescence from being completed.

A recently developed method of nanoclusters growth in a pulsed plasma is studied by means of molecular dynamics. A model that allows one to consider high-energy charged particles in classical molecular dynamics is suggested, and applied for studies of single impact events in nanoclusters growth. In particular, we provide a comparative analysis of the well-studied inert gas aggregation method and the growth from ions in a plasma. The importance to consider of the angular distribution of incoming ions in the simulations of the nanocluster growth is underlined. A detailed study of the energy transfer from the incoming ions to a nanocluster, as well as the diffusion of incoming ions on the cluster surface, is carried out. Our results are important for understanding and control of the nanocluster growth process.

The morphology of thin metal films and nanostructures synthesized from the vapor phase on insulating substrates is strongly influenced by the coalescence of islands. Here, we derive analytically the quantitative criterion for coalescence suppression by combining atomistic nucleation theory and a classical model of coalescence. Growth simulations show that using this criterion, a coalescence-free growth regime can be reached in which morphological evolution is solely determined by island nucleation, growth, and impingement. Experimental validation for the ability to control the rate of coalescence using this criterion and navigate between different growth regimes is provided by in situ monitoring of Ag deposition on SiO2. Our findings pave the way for creating thin films and nanostructures that exhibit a wide range of morphologies and physical attributes in a knowledge-based manner.

Thin films consist of nanoscale layers of material that are used in many technological applications to either functionalize a surface or serve as parts in miniaturized devices. The properties of a film are closely related to its microstructure, which in turn can be tuned during film preparation. Thin film growth involves a multitude of atomic-scale processes that cannot always be easily studied experimentally. Therefore, different types of computer simulations have been developed in order to test theoretical models of thin film growth in a highly controlled way. To be able to compare simulation and experimental results, the simulations must be able to model events on experimental time-scales, i.e. several seconds or minutes. This is achievable with the kinetic Monte Carlo method.In this work, kinetic Monte Carlo simulations are used to model the initial growth stages of metal films on insulating, amorphous substrates. This includes the processes of island nucleation, three-dimensional island growth and island coalescence. Both continuous and pulsed vapor fluxes are investigated as deposition sources, and relations between deposition parameters and film morphology are formulated. Specifically, the film thickness at what is known as the “elongation transition” is studied as a function of the temporal profile of the vapor flux, adatom diffusivity and the coalescence rate. Since the elongation transition occurs due to hindrance of coalescence completion, two separate scaling behaviors of the elongation transition film thickness are found: one where coalescence occurs frequently and one where coalescence occurs infrequently. In the latter case, known nucleation behaviors can be used favorably to control the morphology of thin films, as these behaviors are not erased by island coalescence. Experimental results of Ag growth on amorphous SiO2 that confirm the existence of these two “growth regimes” are also presented for both pulsed and continuous deposition by magnetron sputtering. Knowledge of how to avoid coalescence for different deposition conditions allows nucleation for metal-on-insulator material systems to be studied and relevant physical quantities to be determined in a way not previously possible. This work also aids understanding of the growth evolution of polycrystalline films, which in conjunction with advanced deposition techniques allows thin films to be tailored to specific applications.

The ecosystems of the world are currently facing a variety of anthropogenic perturbations, such as climate change, fragmentation and destruction of habitat, overexploitation of natural resources and invasions of alien species. How the ecosystems will be affected is not only dependent on the direct effects of the perturbations on individual species but also on the trophic structure and interaction patterns of the ecological community. Of particular current concern is the response of ecological communities to climate change. Increased global temperature is expected to cause an increased intensity and frequency of weather extremes. A more unpredictable and more variable environment will have important consequences not only for individual species but also for the dynamics of the entire community. If we are to fully understand the joint effects of a changing climate and habitat fragmentation, there is also a need to understand the spatial aspects of community dynamics. In the present work we use dynamic models to theoretically explore the importance of local (Paper I and II) and spatial processes (Paper III-V) for the response of multi-trophic communities to different kinds of perturbations. In paper I we investigate how species richness and correlation in species responses to a highly variable environment affect the risk of extinction cascades. We find that the risk of extinction cascades increases with increasing species richness especially when the correlation among species is low. Initial stochastic extinctions of primary producer species unleash bottomup extinction cascades, where specialist consumers are especially vulnerable. Although the risks of extinction cascades were higher in the species-rich systems, we found that the temporal stability of aggregate abundance of primary producers increased with increasing richness. Thus, species richness had a two-sided effect on community stability. Also during the extinction cascades it is possible that more robust species and interaction patterns will be selected which would further act to stabilize the post-extinction communities. In paper II we explore how the process of disassembly affects the structure of the interaction network and the robustness of the community to additional disturbances. We find that the disassembled communities are structurally different and more resistant to disturbances than equally sized communities that have not gone through a phase of disassembly. The disassembled communities are topologically as well as dynamically more stable than non-disassembled communities. In paper III, IV and V we expand the analysis to incorporate the spatial dimension. In paper III we analyze how metacommunities (a set of local communities coupled by species dispersal) in spatially explicit landscapes respond to environmental variation. We examine how this response is affected by varying 1) species richness in the local communities, 2) the degree of correlation in species response to the environmental variation, between species within patches (species correlation) and among patches (spatial correlation) and 3) dispersal pattern of species. First we can confirm that our previous findings from paper I regarding local species richness and correlation among species within a patch are robust to the inclusion of a spatial dimension. However our results also show that the spatial dynamics are of great importance: first we find that the risk of global extinctions increases with increasing spatial correlation. Second we find that the pattern and rate of dispersal are important; a high migration rate in combination with localized dispersal decrease the risk of global extinctions whereas a global dispersal pattern increases the risk of global extinctions. When dispersal is global the subpopulations of a species become more synchronized which reduces the potential for a patch to become recolonized following extinctions. We also demonstrate the importance of both local and spatial processes when examining the temporal stability of primary production at the scale of metapopulations, local communities and metacommunities. In paper IV we investigate how the spatial structure of the landscape (number of patches) and dispersal pattern of species affect a metacommunities response to increased mortality during dispersal and local loss of species. We find a two-sided effect of dispersal on metacommunity persistence; on the one hand, high migration rate significantly reduces the risk of bottom-up extinction cascades following the removal of a species when dispersal involves no risk. On the other hand, high migration rate increases extinction risks when dispersal imposes a risk to the dispersing individuals, especially when dispersal is global. Species with long generation times at the highest trophic level are particularly vulnerable to extinction when dispersal involves a risk. These results suggest that decreasing the mortality risk of dispersing individuals by constructing habitat corridors or by improving the quality of the habitat matrix might greatly increase the robustness of metacommunities to local loss of species by enhancing recolonisations and rescue effects. In paper V we use network theory to identify keystone patches in the landscape, patches that are of critical importance for the local and global persistence of species in the metacommunity. By deleting patches one at a time and investigating the risk of local and global extinctions we quantified the importance of a patch’s position in the landscape for the persistence of species within the metacommunity. A selection of indices were used including some local indices that measure the connectedness of a patch in the intact network and some indices which measure the decrease in a global index after the deletion of the patch from the network. Global indices are those that give an impression of the connectivity of the entire patch network. We find that deletion of patches contributing strongly to the connectivity of the entire patch network had the most negative effect on species persistence.

Global warming leads to increased intensity and frequency of weather extremes. Such increased environmental variability might in turn result in increased variation in the demographic rates of interacting species with potentially important consequences for the dynamics of food webs. Using a theoretical approach, we here explore the response of food webs to a highly variable environment. We investigate how species richness and correlation in the responses of species to environmental fluctuations affect the risk of extinction cascades. We find that the risk of extinction cascades increases with increasing species richness, especially when correlation among species is low. Initial extinctions of primary producer species unleash bottom-up extinction cascades, especially in webs with specialist consumers. In this sense, species-rich ecosystems are less robust to increasing levels of environmental variability than species-poor ones. Our study thus suggests that highly species-rich ecosystems such as coral reefs and tropical rainforests might be particularly vulnerable to increased climate variability.

Climate change and habitat loss are increasingly affecting the structure and dynamics of ecological communities both at the local and regional scale. Changes in the spatial structure of landscapes ...

The ecosystems of the world are currently facing a variety of anthropogenic perturbations, such as climate change, fragmentation and destruction of habitat, overexploitation of natural resources and invasions of alien species. How the ecosystems will be affected is not only dependent on the direct effects of the perturbations on individual species but also on the trophic structure and interaction patterns of the ecological community. Of particular current concern is the response of ecological communities to climate change. Increased global temperature is expected to cause an increased intensity and frequency of weather extremes. A more unpredictable and more variable environment will have important consequences not only for individual species but also for the dynamics of the entire community. If we are to fully understand the joint effects of a changing climate and habitat fragmentation, there is also a need to understand the spatial aspects of community dynamics. In the present work we use dynamic models to theoretically explore the importance of local (Paper I and II) and spatial processes (Paper III-V) for the response of multi-trophic communities to different kinds of perturbations. In paper I we investigate how species richness and correlation in species responses to a highly variable environment affect the risk of extinction cascades. We find that the risk of extinction cascades increases with increasing species richness especially when the correlation among species is low. Initial stochastic extinctions of primary producer species unleash bottomup extinction cascades, where specialist consumers are especially vulnerable. Although the risks of extinction cascades were higher in the species-rich systems, we found that the temporal stability of aggregate abundance of primary producers increased with increasing richness. Thus, species richness had a two-sided effect on community stability. Also during the extinction cascades it is possible that more robust species and interaction patterns will be selected which would further act to stabilize the post-extinction communities. In paper II we explore how the process of disassembly affects the structure of the interaction network and the robustness of the community to additional disturbances. We find that the disassembled communities are structurally different and more resistant to disturbances than equally sized communities that have not gone through a phase of disassembly. The disassembled communities are topologically as well as dynamically more stable than non-disassembled communities. In paper III, IV and V we expand the analysis to incorporate the spatial dimension. In paper III we analyze how metacommunities (a set of local communities coupled by species dispersal) in spatially explicit landscapes respond to environmental variation. We examine how this response is affected by varying 1) species richness in the local communities, 2) the degree of correlation in species response to the environmental variation, between species within patches (species correlation) and among patches (spatial correlation) and 3) dispersal pattern of species. First we can confirm that our previous findings from paper I regarding local species richness and correlation among species within a patch are robust to the inclusion of a spatial dimension. However our results also show that the spatial dynamics are of great importance: first we find that the risk of global extinctions increases with increasing spatial correlation. Second we find that the pattern and rate of dispersal are important; a high migration rate in combination with localized dispersal decrease the risk of global extinctions whereas a global dispersal pattern increases the risk of global extinctions. When dispersal is global the subpopulations of a species become more synchronized which reduces the potential for a patch to become recolonized following extinctions. We also demonstrate the importance of both local and spatial processes when examining the temporal stability of primary production at the scale of metapopulations, local communities and metacommunities. In paper IV we investigate how the spatial structure of the landscape (number of patches) and dispersal pattern of species affect a metacommunities response to increased mortality during dispersal and local loss of species. We find a two-sided effect of dispersal on metacommunity persistence; on the one hand, high migration rate significantly reduces the risk of bottom-up extinction cascades following the removal of a species when dispersal involves no risk. On the other hand, high migration rate increases extinction risks when dispersal imposes a risk to the dispersing individuals, especially when dispersal is global. Species with long generation times at the highest trophic level are particularly vulnerable to extinction when dispersal involves a risk. These results suggest that decreasing the mortality risk of dispersing individuals by constructing habitat corridors or by improving the quality of the habitat matrix might greatly increase the robustness of metacommunities to local loss of species by enhancing recolonisations and rescue effects. In paper V we use network theory to identify keystone patches in the landscape, patches that are of critical importance for the local and global persistence of species in the metacommunity. By deleting patches one at a time and investigating the risk of local and global extinctions we quantified the importance of a patch’s position in the landscape for the persistence of species within the metacommunity. A selection of indices were used including some local indices that measure the connectedness of a patch in the intact network and some indices which measure the decrease in a global index after the deletion of the patch from the network. Global indices are those that give an impression of the connectivity of the entire patch network. We find that deletion of patches contributing strongly to the connectivity of the entire patch network had the most negative effect on species persistence.