Influence of sulfate enrichment on the carbon dioxide and phosphate fluxes across the sediment–water interface

Fluxes of CO2 and o-P across the sediment-water interfacewere measured adding different amounts of sulfatein order to quantify the influence in these processes againsta control, and using chloramphenicol as an inhibitor ofbacterial activity. These experiments were performed underoxic and anoxic conditions. Results show that the additionof sulfate stimulated the fluxes of CO2 and o-P, whilethe use of chloramphenicol decreased these fluxes. Theratio of o-P release to Org-C release ranged from 1 to 5 underoxic conditions and from 18 to 42 under anoxicconditions.     

Effects of benthic filamentous algae on the sediment–water interface in an acidic mining lake

Natural alkalinity generation by microbial sulphate reduction in acidic lakes is usually inhibited by the low pH and a low primary production which results in a lack of suitable organic carbon sources. In some acidic mining lakes mass developments of filamentous benthic algae occur. The effects of this periphyton layer on the biogeochemistry of the sediment–water interface were investigated by in situ microsensor measurements and laboratory incubations in Mining Lake Grünewalder Lauch (Germany). Microsensor measurements showed that the oxic–anoxic boundary was located in the periphyton layer and was moving up and down depending on light triggered photosynthesis. The sediment itself was permanently anoxic. The diurnal redox shift and the maintenance of neutral conditions in the periphyton layer lead to an effective precipitation of iron and phosphorus. Under the periphyton layer very high sulphate reduction rates up to 265 nmol cm⁻³ d⁻¹ were measured in the sediment. These are the highest rates reported for mining lakes so far. The microbial activity was high enough to keep the pH in the surface sediment neutral and contributed to natural alkalinity production. Handling editor: L. Naselli-Flores     

Estimating oxygen exchange across the air–water interface of a hypereutrophic lake

Patterns of estimates of oxygen flux (J) across the air–water interface of hypereutrophic Onondaga Lake, NY, U.S.A., are characterized for time scales ranging from diel to seasonal for an 8-month period. The analysis is supported by a high frequency (most often hourly) monitoring program, conducted with a robotic buoy, that included measurements of dissolved oxygen (DO), temperature, and fluorometric chlorophyll a in the lake's surface waters, vertical profiles of DO through the epilimnion, and wind speed and solar radiance. The magnitude and direction of J is demonstrated to vary dramatically at diel, day-to-day, and seasonal time scales. Thus, large errors in estimates of J may result from extrapolating flux calculations made from short-term data to longer time periods. The variations in J were driven by variations in metabolic activity and meteorology, and were mediated by departures from equilibrium DO concentrations and wind-driven turbulence. Extended periods of high J values are shown to coincide with intervals of large departures from equilibrium DO concentrations, but day-to-day differences are driven mostly by variations in wind. A distinct diel pattern of J estimates is manifested for average conditions, with substantially higher J values during daylight hours. This pattern reflects the common diel patterns of the drivers of both higher DO oversaturation and wind speed over those hours. It is demonstrated that the magnitude of J is substantial relative to net changes in the epilimnetic DO pool, and thus must be accommodated accurately in estimates of primary production and community respiration that are to be based on diel monitoring of DO in the water columns of productive lakes.     

Particle size-related phosphate binding and P-release at the sediment–water interface in a shallow German lake

Phosphate binding and P-release in the sediment of the eutrophic shallow Lake Bützow are described based on sediment profiles, particle size fractions and incubation experiments. Total phosphorus was about 15% higher in the upper 0.5 cm layer than in the 0.5–1 cm layer. Phosphorus binding varied with sediment depth. Hot P_NaOH and P_HCl were the dominant fractions in all sediment horizons down to 10 cm depth, with values ranging from 20 to 30%. The P_H2O, P_BD, o-P_NaOH and nr-P_NaOH decreased with depth. The P_BD contributed 21% to Tot-P in the horizon 0–0.5 cm and decreased by half in 1–2 cm. The greatest proportion of particles (35%) was found in the 100–200 m fraction. This size fraction also accumulated most of the phosphate. Moreover, P-forms were differently distributed in the various particle sizes of the sediment. Sediment particles <40 m can be resuspended by a wind velocity of 2 m s^–1, whereby 17% of the Tot-P from the topmost sediment were transported into the water column. The proportions of released labile phosphate, organic phosphate and hydrolysable phosphate were higher, with values of 24, 33 and 26%, respectively. Dissolved P was released under oxic and anoxic incubation, but anoxic release was higher. Comparison of the results shows that the P-release under anoxic conditions was equal to the P-release by resuspension, but under anoxic conditions the release of bioavailable P was higher.     

Inorganic nutrient and oxygen fluxes across the sediment–water interface in the inshore macrophyte areas of a shallow estuary (Lake Illawarra,Australia)

Rates of inorganic nutrient and oxygen fluxes, and gross community primary productivity were investigated using incubated cores in July, August and September 2001, in a seagrass meadow of Lake Illawarra, a barrier estuary in New South Wales, Australia. The results indicated that rates of gross primary productivity were high, varying from C = 0.62 to 1.89 g m^–2 d^–1; low P/R ratios of 0.28–0.48 define the system as heterotrophic and indicate that more carbon is respired than is produced. In order to determine the effect of macroalgae on O₂ and nutrient fluxes, measurements were also conducted on cores from which the macroalgae had been removed. The results showed that the O₂ fluxes during light incubations were significantly lower in the cores without macroalgae (P<0.01), indicating that macroalgae could be a significant contributor to the primary production in the lake. In general, nutrient fluxes showed a typical diurnal variation with an efflux from sediments in the dark and a reduced efflux (or uptake) in the light. Dissolved inorganic nitrogen (NO₂ ^–+ NO₃ ^–+NH₄ ⁺) net fluxes were directed from the sediments towards the water column and dominated by the NH₄ ⁺ fluxes (>80%). NO₂ ^–+ NO₃ ^– and o-P fluxes were always very low during the sampling period. The increasing tendency of net nutrient effluxes, especially NH₄ ⁺ from July to September, is consistent with the increase of the water temperature and seagrass biomasses. However, in September, significantly lower light, dark and net NH₄ ⁺ effluxes were found in the cores with macroalgae (SA-sediments) compared with the cores without macroalgae (S-sediments). These results support the hypothesis that actively-growing dense macroalgal mats (i.e., algal blooms in September) may act as a filter reducing the flux of nutrients to the water column.     

Diagenetic stoichiometry and benthic nutrient fluxes at the sediment–water interface of Lake Illawarra, Australia

Benthic flux measurements of O₂, TCO₂ and inorganic nutrients were made at three stations (seagrass beds, shallow bare sand and deep mud) in Lake Illawarra (Australia) to compare the characteristics of diagenesis and benthic biogeochemical processes for different primary producers (seagrass or microphytobenthos, (MPB)) and/or sediment types (sand or mud).Seagrass beds exhibited the highest gross primary productivity while the lowest rates occurred at the deep mud station. At the shallow bare sand station only, the gross primary production (GPP) and respiration (R) were balanced, while at the other two stations, R exceeded GPP by as much as 2 fold, indicating more organic carbon was decomposed than produced at the time of sampling. In general, nutrient fluxes displayed typical diurnal variation.Organic carbon oxidation scenarios, evaluated by either calcium carbonate dissolution or sulfate reduction models, indicated that both models can represent organic matter mineralization. The difference of estimated total carbon oxidized in this lake using the two models was small, ranging from 0.2% at deep mud station to maximum of 21% at seagrass station. In addition, N₂ flux rates (net denitrification), estimated using carbon and nitrogen stoichiometry, were of similar magnitude as the rates estimated using LOICZ budget modeling or measured using the N₂/Ar technique.Finally, a comparison of calculated diffusive fluxes and measured fluxes using incubation cores indicated that the results were of similar magnitude at the deep mud station, but the incubation cores fluxes were much higher than the calculated diffusive fluxes at the other two stations. This may have been caused by bioturbation or bioirrigation.     

Biogeochemical processes at the sediment–water interface, Bombah Broadwater, Myall Lakes

Myall Lakes has experienced algal blooms in recent years which threaten water quality. Biomarkers, benthic fluxes measured with chambers, and pore water metabolites were used to identify the nature and reactivity of organic matter (OM) in the sediments of Bombah Broadwater (BB), and the processes controlling sediment-nutrient release into the overlying waters. The OM in the sediments was principally from algal sources although terrestrial OM was found near the Myall River. Terrestrial faecal matter was identified in muddy sediments and was probably sourced via runoff from farm lands. The reactive OM which released nutrients into the overlying waters was from diatoms, dinoflagellates and probably cyanobacteria. Microcystis filaments were observed in surface sediments. OM degradation rates varied between 5.3 and 47.1 mmol m^?2 day^?1 (64–565 mg m^?2 day^?1), were highest in the muddy sediments and sulphate reduction rates accounted for 20–40% of the OM degraded. Diatoms, being heavy sink rapidly, and are an important vector to transport catchment N and P to sites of denitrification and P-trapping in the sediments. Denitrification rates (mean ～4 mmol N m^?2 day^?1), up to 7 mmol N m^?2 day^?1 (105 mg N m^?2 day^?1) were measured, and denitrification efficiencies were highest (mean = 86 ± 4%) in the sandy sediments (～20% of the area of BB), but lower in the muddy sediments (mean = 63 ± 15%). These differences probably result from higher OM loads and anaerobic respiration in muddy sediments. Most DIP (>70%) from OM degradation was not released into overlying waters but remained trapped in surface sediments. Biophysical (advective) processes were responsible for the measured metabolite (O₂, CO₂, DSi, DIN and DIP) fluxes across the sediment–water interface.     

Impact of resuspension of cohesive sediments at the Oyster Grounds (North Sea) on nutrient exchange across the sediment–water interface

Benthic-pelagic exchange processes are recognised as important nutrient sources in coastal areas, however, the relative impact of diffusion, resuspension and other processes such as bioturbation and bioirrigation are still relatively poorly understood. Experimental ship-based data are presented showing the effects of diffusion and resuspension on cohesive sediments at a temperate shelf location in the North Sea. Measurements of diffusive fluxes in both spring (1.76, 0.51, ?0.91, 17.6 μmol/m²/h) and late summer (8.53, ?0.03, ?1.12, 35.0 μmol/m²/h) for nitrate, nitrite, phosphate and dissolved silicon respectively, provided comparisons for measured resuspension fluxes. Increases in diffusive fluxes of nitrate and dissolved silicon to the water column in late summer coincided with decreases in bottom water oxygen concentrations and increases in temperature. Resuspension experiments using a ship board annular flume and intact box core allowed simultaneous measurement of suspended particulate matter, water velocity and sampling of nutrients in the water column during a step wise increase in bed shear velocity. The resuspension of benthic fluff led to small but significant releases of phosphate and nitrate to the water column with chamber concentration increasing from 0.70–0.76 and 1.84–2.22 μmol/L respectively. Resuspension of the sediment bed increased water column concentrations of dissolved silicon by as much as 125% (7.10–15.9 μmol/L) and nitrate and phosphate concentrations by up to 67% (1.84–3.08 μmol/L) and 66% (0.70–1.15 μmol/L) respectively. Mass balance calculations indicate that processes such as microbial activity or adsorption/desorption other than simple release of pore water nutrients must occur during resuspension to account for the increase. This study shows that resuspension is potentially an important pathway for resupplying the water column with nutrients before and during phytoplankton blooms and should therefore be considered along with diffusive fluxes in future ecosystem models.     

Nitrogen transformations at the sediment–water interface across redox gradients in the Laurentian Great Lakes

The capacity of a lake to remove reactive nitrogen (N) through denitrification has important implications both for the lake and for downstream ecosystems. In large oligotropic lakes such as Lake Superior, where nitrate (NO₃ ^?) concentrations have increased steadily over the past century, deep oxygen penetration into sediments may limit the denitrification rates. We tested the hypothesis that the position of the redox gradient in lake sediments affects denitrification by measuring net N-fluxes across the sediment–water interface for intact sediment cores collected across a range of sediment oxycline values from nearshore and offshore sites in Lake Superior, as well as sites in Lake Huron and Lake Erie. Across this redox gradient, as the thickness of the oxygenated sediment layer increased from Lake Erie to Lake Superior, fluxes of NH₄ ⁺ and N₂ out of the sediment decreased, and sediments shifted from a net sink to a net source of NO₃ ^?. Denitrification of NO₃ ^? from overlying water decreased with thickness of the oxygenated sediment layer. Our results indicate that, unlike sediments from Lake Erie and Lake Huron, Lake Superior sediments do not remove significant amounts of water column NO₃ ^? through denitrification, likely as a result of the thick oxygenated sediment layer.     

Effects of Phoslock® treatment and chironomids on the exchange of nutrients between sediment and water

Effects of chironomids on sediment–water exchange of nutrients and their impact on the efficiency of Phoslock^® (a lanthanum (La) modified clay for phosphorus (P) removal in freshwater systems) were tested during a 35 days incubation experiment with sediment cores from a Danish eutrophic Lake. Four different sediment treatments with increased or natural densities of chironomids in combination with Phoslock^® were used: (1) Control + (2) Chironomids + (3) Phoslock + (4) Chironomids & Phoslock. Nutrients in the overlying water were followed during the incubation period. The treatments with Phoslock reduced P in the overlying water significantly compared to the control treatment. In addition, the chironomids significantly increased sediment nitrate uptake as well as sediment ammonium release. After the incubation period, a sequential extraction of P and La was conducted. The Phoslock treatment led to a reduction of the iron-bound P pool in the sediment and a higher HCl-extractable P pool. Also, most La was recovered in the HCl extract, indicating that P became strongly bound to La in the Phoslock matrix. Sequential extraction of pure Phoslock demonstrated that the bentonite matrix of Phoslock contained redox sensitive iron, and that ammonium might be released from Phoslock, when dispersed in water.     

Ecosystem engineering at the sediment–water interface: bioturbation and consumer-substrate interaction

In soft-bottom sediments, consumers may influence ecosystem function more via engineering that alters abiotic resources than through trophic influences. Understanding the influence of bioturbation on physical, chemical, and biological processes of the water–sediment interface requires investigating top-down (consumer) and bottom-up (resource) forces. The objective of the present study was to determine how consumer bioturbation mode and sediment properties interact to dictate the hydrologic function of experimental filtration systems clogged by the deposition of fine sediments. Three fine-grained sediments characterized by different organic matter (OM) and pollutant content were used to assess the influence of resource type: sediment of urban origin highly loaded with OM and pollutants, river sediments rich in OM, and river sediments poor in OM content. The effects of consumer bioturbation (chironomid larvae vs. tubificid worms) on sediment reworking, changes in hydraulic head and hydraulic conductivity, and water fluxes through the water–sediment interface were measured. Invertebrate influences in reducing the clogging process depended not only on the mode of bioturbation (construction of biogenic structures, burrowing and feeding activities, etc.) but also on the interaction between the bioturbation process and the sediments of the clogging layer. We present a conceptual model that highlights the importance of sediment influences on bioturbation and argues for the integration of bottom-up influence on consumer engineering activities. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Biochemical composition of particulate organic matter and bacterial dynamics at the sediment–water interface in a Mediterranean seagrass system

The seagrass Posidonia oceanica is the most productive system of theMediterranean Sea. In order to gather information on the temporal andspatial variability of the suspended particulate matter in relation tobacterial dynamics, water samples were collected at 10 cm above thesediments over a period of 13 months in the Prelo Bay (Ligurian Sea, NWMediterranean). Measurements of seston concentration, as well as theelemental (POC and PON) and biochemical composition (lipids, proteins,carbohydrates and nucleic acids) of particulate matter were carried out toassess the origin, composition and bacterial contribution to the foodpotentially available in the seagrass system to consumers. Lipids andproteins were the main biochemical classes of organic compounds, followed bycarbohydrates. Despite the highly refractory composition of the seagrassleaves, particulate organic matter was mostly composed of labile compounds(69.9% of POC). POM temporal patterns were controlled by currentspeed at the sediment–water interface that resuspended only smallparticles largely colonised by bacteria after an intensive process offractionation and aging. In the seagrass system, the POM appears to bedominated by bacteria (density ranging from 0.7 to 2.5×10⁹ cells l^™1, representing more than48.3% of POC and 68.7% of the biopolymeric carbon, as the sumof lipid, protein and carbohydrate carbon). This feature was characteristicof the seagrass system since much lower bacterial densities were foundoutside the Posidonia meadow. Bacteria were negatively correlated with theconcentration of nitrite and nitrate suggesting a selective utilisation ofinorganic nutrients to support their growth. This revised version was published online in July 2006 with corrections to the Cover Date.     

Distribution of denitrifying bacterial communities in the stratified water column and sediment–water interface in two freshwater lakes and the Baltic Sea

We have studied the distribution and community composition of denitrifying bacteria in the stratified water column and at the sediment–water interface in lakes Plußsee and Schöhsee, and a near-shore site in the Baltic Sea in Germany. Although environmental changes induced by the stratification of the water column in marine environments are known to affect specific populations of denitrifying bacteria, little information is available for stratified freshwater lakes and brackish water. The aim of the present study was to fill this gap and to demonstrate specific distribution patterns of denitrifying bacteria in specific aquatic habitats using two functional markers for the nitrite reductase (nirK and nirS genes) as a proxy for the communities. The leading question to be answered was whether communities containing the genes nirK and nirS have similar, identical, or different distribution patterns, and occupy the same or different ecological niches. The genes nirK and nirS were analyzed by PCR amplification with specific primers followed by terminal restriction fragment length polymorphism (T-RFLP) and by cloning and sequence analysis. Overall, nirS-denitrifiers were more diverse than nirK-denitrifiers. Denitrifying communities in sediments were clearly different from those in the water column in all aquatic systems, regardless of the gene analyzed. A differential distribution of denitrifying assemblages was observed for each particular site. In the Baltic Sea and Lake Plußsee, nirK-denitrifiers were more diverse throughout the water column, while nirS-denitrifiers were more diverse in the sediment. In Lake Schöhsee, nirS-denitrifiers showed high diversity across the whole water body. Habitat-specific clusters of nirS sequences were observed for the freshwater lakes, while nirK sequences from both freshwater lakes and the Baltic Sea were found in common phylogenetic clusters. These results demonstrated differences in the distribution of bacteria containing nirS and those containing nirK indicating that both types of denitrifiers apparently occupy different ecological niches.     

Influence of submerged macrophytes,temperature, and nutrient loading on the development of redox potential around the sediment–water interface in lakes

Redox potential is a significant factor in aquatic systems to regulate the availability of nutrients and some metals. To assess the driving variables regulating redox potential, background parameters (dissolved oxygen, pH, temperature, chlorophyll-a, soluble reactive and total phosphorus content of water, coverage and height of submerged macrophytes) and redox potential profiles around the sediment–water interface (SWI) were measured in simulated shallow lake ecosystems. There were two nutrient regimes (enriched and non-enriched) and three temperature scenarios (unheated; +3.5°C; +5°C) installed in the experimental setups, which were constructed to study the effects of global climate change. Temperature did not have any detectable effect on redox potentials, and we presume that nutrient addition had only indirect positive effects through triggering phytoplankton dominance which causes macrophyte absence. When submerged macrophytes were present in high density (80–100% coverage), redox potentials at the SWI varied between 60–215 mV and the mean redox potential was 133 ± 34 mV (mean ± 1 SD). In contrast to this, when phytoplankton dominance was coupled to low macrophyte density (0–20% coverage), the range of redox potentials at the SWI was 160–290 mV and the mean redox potential was 218 ± 34 mV. The results revealed the primary importance of submersed macrophytes; macrophyte coverage determined alone the redox potential of the sediment–water interface by 81%. This study suggests that possible positive effects of macrophytes on redox potential can be suppressed by their negative effects in case of 80–100% coverage and total inhabitation of the water column.     

Inorganic carbon fluxes at the water–sediment interface in five littoral systems in Spain (southern Europe)

The assemblage of littoral oligochaetes in six crater lakes in Central Mexico, was studied throughout a yearly cycle. To establish species composition, richness, density and biomass, 14 localities were sampled in the lakes. A total of eight species belonging to the families Naididae (five species), Tubificidae (two species), and Enchytraeidae (one species) were found. The dominant species, Limnodrilus hoffmeisteri, contributed with up to 99% in both abundance and biomass. Sediment organic matter is the most important environmental variable explaining the differences in density and biomass. Seasonal (dry and rainy seasons) changes were not significant for density and biomass. Higher density and lower biomass values characterized these lakes in contrast to other tropical and subtropical lakes worldwide. The small size of the dominant species L. hoffmeisteri was recorded in all lakes and explained the low biomass recorded in the area of study. The correlation between L. hoffmeisteri and four other species (Dero (Dero) nivea, D. (D.) digitata, Nais variabilis and Tubifex tubifex) was negative. The naidid species were positively correlated (>0.5) to each other.     

Influence of COD/NH3–N ratio on organic removal and nitrification using a modified RBC

Synthetic wastewaters were prepared with different influent concentrations of ammonia nitrogen (NH₃–N) and COD and the treatment studies were conducted using a rotating biological contactor (RBC). If organic removal and nitrification can be simultaneously effected in one process, it will be an ideal solution to water pollution control. The RBC used in the present study was a four stage laboratory model and the discs were modified by attaching porous netlon sheets to enhance biofilm area. The COD loads (S ₀) used were about 1000 and 1500?mg/l whereas NH₃–N concentrations used were in the range of 20 to 185?mg/l. Hydraulic load (q) of 0.03?m³?.?m^-2?.?d^-1 and ammonia nitrogen loadings in the range of 0.66 to 5.5?g NH₃–N?.?m^-2?.?d^-1 were used. The RBC was operated at two different rotating speeds of 6 and 12?rpm. The results showed that the nitrification and percentage of COD removal were not affected up to the value of the COD/NH₃–N in the range from 47 to 23 at w=6?rpm and for an average influent COD of 1003?mg/l. Beyond that range only the nitrification rate decreased much whereas the percentage of COD removal was not affected. Similarly, at an influent COD load of 1557?mg/l, the nitrification and percentage COD removal were not affected for the value of the COD/NH₃–N in the range from 44 to 23 but beyond that range only the nitrification rate decreased while the percentage of COD removal was approximately constant and still high. A correlation plot between the NH₃–N removed and NH₃–N applied was presented at a rotating speed of 6?rpm and it was found that the nitrification rate of 3.93?g NH₃–N?.?m^-2?.?d^-1 was achieved at ammonia loading of 5.55?g NH₃–N?.?m^-2?.?d^-1. Also the results at w=12?rpm showed improvement of nitrification rate over those at 6?rpm.     

Biodiversity links above and below the marine sediment–water interface that may influence community stability

Linkages across the sediment–water interface (SWI) between biodiversity and community stability appear to exist but are very poorly studied. Processes by which changes in biodiversity could affect stability on the other side of the SWI include carbon transfer during feeding, decomposition of organic matter, nutrient recycling, organism recruitment and structural stabilisation of sediments. The importance of these processes will clearly vary among habitats. Direct disturbance to communities on one side of the SWI, such as created by overfishing, habitat destruction, and species invasions, has the potential to impact communities on the other side of the SWI through the many functional links. Hypotheses are proposed to suggest further areas of research to fill the large gaps in our knowledge concerning the nature and intensity of such linkages. The linkage between benthic and pelagic diversity is likely to be tighter where there is a close energetic connection between the domains, such as polar and shallow coastal waters, and where communities are dominated by selective detritivores. The quantity of carbon reserves in the sediment and the predominant mode of larval development of sediment communities probably influence the stability of below SWI communities in the face of changes in above SWI diversity. The organisms, including hyperbenthos, that are found at the SWI may be of crucial importance to the linkage and stability of above and below SWI communities.     

Longitudinal patterns of phosphorus and phosphorus binding in sediment of a lowland lake–river system

In the Warnow River and its tributaries in North Germany, measurements were made to characterise the longitudinal patterns of nutrients in the riverbed and lake sediments. The sediment composition was analysed based on dry weight, organic matter, mean grain size and concentration of carbon, nitrogen, phosphorus, iron, aluminium and sulfur. Sediment phosphate was investigated in more detail by means of a sequential chemical extration. The phosphate was differently bound to the sediment particles in the upstream region than in the impounded section of the Warnow River and ist tributaries. Accumulation of fine sediment with high P-concentrations was recorded in the lake sediments and in the impounded section of the river. These impounded sections were the most important P-pool in the whole catchment area and played an important role in P-retention in the river system. Organic matter concentration, P-accumulation and P-binding in the sediment of the impounded section is corresponding with those of lake sediments. During the summer, anoxic P-release from the sediment in the impounded section was measured and calculated. The reductant-soluble fraction of the P-fractionation underestimated the release under anoxic condition. Adsorbed phosphorus and organic phosphate play an important role in P-release in the impounded part of the river.     

Molecular dynamics simulation of the melting processes of core–shell and pure nanoparticles

Core–shell nanoparticles are nanosized particles that consist of a core and a shell, constructed from different metallic elements. Core–shell nanoparticles have received extensive attention, owing to their various potential applications such as paints, optical films and catalysts. Herein, we investigate the melting behaviours of different core–shell nanoparticles under continuous heating using molecular dynamics simulation. Different metallic elements were examined as core–shell and pure nanoparticles. Five different processes were observed during the melting of core–shell nanoparticles. In contrast, only one process was identified during the melting of pure nanoparticles. These processes were influenced by the nanoparticle size, shell thickness and differences between the lattice constants and melting point temperatures of the metallic elements. Our simulation provides microscopic insights into the melting behaviours of existing and proposed core–shell nanoparticles that would be highly beneficial towards the fabrication of materials with different chemical coatings.