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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Experimental and numerical study of the effective thermal conductivity of silica nanocomposites with thermal boundary resistance

The thermal interface resistance at the macro scale is mainly described by the physical gap between two interfaces and constriction resistance due to this gap. The small gaps between the two material faces makes up the majority of thermal interface resistance at the macro scale. So, most of the studies have been focused on characterizing effect of surface geometry and material properties to thermal interface resistance. This resistance is more widely known as thermal contact resistance, represented with Rc. There are various models to predict thermal contact resistance at macro scale. These models predict thermal resistance Rc for given two materials by utilizing their bulk thermomechanical properties. Although, Rc represents thermal resistance accurately for macro size contacts between two metals, it is not suitable to describe interface resistance of particles in modern TIMs, aka particulate composites. The particles inside recently available TIMs are micron size and with effort to further increase surface area this particle size is approaching nano scale. At this small scale, Rc does not accurately predict thermal interface, as it is very difficult to characterize the surface topography. The thermal discontinuity at perfectly bonded interface of two dissimilar materials is termed as thermal boundary resistance (Rb) or Kapitza resistance. The macroscopic assumptions that thermal discontinuity only exists due to gaps and surface geometry leads to substantial error in determining interface thermal properties at micron and nano scale. The phenomenon of thermal boundary resistance is an inherent material property and arises due to fundamental mechanism of thermal transport. For metal-matrix particulate composites, Rb plays more important role than Rc. The free flowing nature of the polymer would eliminate most of the gaps between the two materials at their interface. This means almost all of the thermal resistance at particle/matrix interface would occur due to Rb. The current study presents experimental study of thermal boundary resistance for silica nano particles embedded inside epoxy resin. The bulk conductivity of the sample is measured and Rc is back calculated using Hasselman-Johnson s (H-J) equation. The numerical validation of the equation is also presented, including extrapolation study to predict effective conductivity of the nanocomposite TIM.

silica nanocomposites↗
DOE OSTI2014

Study of Interfacial Interactions Using Thing Film Surface Modification: Radiation and Oxidation Effects in Materials

Interfaces play a key role in dictating the long-term stability of materials under the influence of radiation and high temperatures. For example, grain boundaries affect corrosion by way of providing kinetically favorable paths for elemental diffusion, but they can also act as sinks for defects and helium generated during irradiation. Likewise, the retention of high-temperature strength in nanostructured, oxide-dispersion strengthened steels depends strongly on the stoichiometric and physical stability of the (Y, Ti)-oxide particles/matrix interface under radiation and high temperatures. An understanding of these interfacial effects at a fundamental level is important for the development of materials for extreme environments of nuclear reactors. The goal of this project is to develop an understanding stability of interfaces by depositing thin films of materials on substrates followed by ion irradiation of the film-substrate system at elevated temperatures followed by post-irradiation oxidation treatments. Specifically, the research will be performed by depositing thin films of yttrium and titanium (~500 nm) on Fe-12%Cr binary alloy substrate. Y and Ti have been selected as thin-film materials because they form highly stable protective oxides layers. The Fe-12%Cr binary alloy has been selected because it is representative of ferritic steels that are widely used in nuclear systems. The absence of other alloying elements in this binary alloy would allow for a clearer examination of structures and compositions that evolve during high-temperature irradiations and oxidation treatments. The research is divided into four specific tasks: (1) sputter deposition of 500 nm thick films of Y and Ti on Fe-12%Cr alloy substrates, (2) ion irradiation of the film-substrate system with 2MeV protons to a dose of 2 dpa at temperatures of 300°C, 500°C, and 700°C, (3) oxidation of as-deposited and ion-irradiated samples in a controlled oxygen environment at 500°C and 700°C, (4) multi-scale computational modeling involving first- principle molecular dynamics (FPMD) and coarse-grained dissipative particle dynamics (DPD) approaches to develop theories underlying the evolution and stability of structures and phases. Samples from Tasks 1 to 3 (above) will be rigorously characterized and analyzed using scanning electron microscopy, Auger electron microscopy, x-ray diffraction, Rutherford back scatter spectroscopy, and transmission electron microscopy. Expected outcomes of the experimental work include a quantitative understanding film-substrate interface mixing, evolution of defects and other phases at the interface, interaction of interfaces with defects, and the ability of the Y and Ti films to mitigate irradiation-assisted oxidation.The aforementioned experimental work will be closely coupled with multi-scale molecular dynamics (MD) modeling to understand the reactions at the surface, the transport of oxidant through the thin film, and the stabilities of the deposited thin films under radiation and oxidation. Simulations of materials property changes under conditions of radiation and oxidation require multiple size domains and a different simulation scheme for each of these domains. This will be achieved by coupling the FPMD and coarse-grained kinetic Monte Carlo (KMC). This will enable the comparison of the results of each simulation approach with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2017

New mechanism of semiconductor polarization at the interface with an organic insulator

A semiconductor—organic-insulator system with spatially distributed charge is created with a uniquely low density of fast surface states (N{sub ss}) at the interface. A system with N{sub ss} ≈ 5 × 10{sup 10} cm{sup –2} is obtained for the example of n-Ge and the physical characteristics of the interface are measured for this system with liquid and metal field electrodes. For a system with an organic insulator, the range of variation of the surface potential from enrichment of the space-charge region of the semiconductor to the inversion state is first obtained without changing the mechanism of interaction between the adsorbed layer and the semiconductor surface. The effect of enhanced polarization of the space-charge region of the semiconductor occurs due to a change in the spatial structure of mobile charge in the organic dielectric layer. The system developed in the study opens up technological opportunities for the formation of a new generation of electronic devices based on organic film structures and for experimental modeling of the electronic properties of biological membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An experimental study on sub-cooled flow boiling CHF of R134a at low pressure condition with atmospheric pressure (AP) plasma assisted surface modification

In this study, sub-cooled flow boiling critical heat flux tests at low pressure were conducted in a rectangular flow channel with one uniformly heated surface, using simulant fluid R-134a as coolant. The experiments were conducted under the following conditions: (1) inlet pressure (P) of 400-800 kPa, (2) mass flux (G) of 124-248 kg/m 2 s, (3) inlet sub-cooling enthalpy (ΔH i ) of 12~ 26 kJ/kg. Parametric trends of macroscopic system parameters (G, P, H i ) were examined by changing inlet conditions. Those trends were found to be generally consistent with previous understandings of CHF behavior at low pressure condition (i.e. reduced pressure less than 0.2). A fluid-to-fluid scaling model was utilized to convert the test data obtained with the simulant fluid (R-134a) into the prototypical fluid (water). The comparison between the converted CHF of equivalent water and CHF look-up table with same operation conditions were conducted, which showed good agreement. Furthermore, the effect of surface wettability on CHF was also investigated by applying atmospheric pressure plasma (AP-Plasma) treatment to modify the surface characteristic. With AP-Plasma treatment, the change of microscopic surface characteristic was measured in terms of static contact angle. The static contact angle was reduced from 80° on original non-treated surface to 15° on treated surface. An enhancement of 18% on CHF values under flow boiling conditions were observed on AP-Plasma treated surfaces compared to those on non-treated heating surfaces.

42 ENGINEERING↗
DOE OSTI2017

Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

Using Monte Carlo results as a reference, a classical density functional theory (CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson–Boltzmann (PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force (EPMF) between two face–face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of the salt ion; whereas if the 1:1 type electrolyte and the symmetrical patterns are considered, then the opposite may be the case. All of these findings can be explained self-consistently from several perspectives: an excess adsorption of the salt ions (induced by the surface charge separation) serving to raise the osmotic pressure between the plates, configuration fine-tuning in the thinner ion adsorption layer driven by the energy decrease principle, direct Coulombic interactions operating between charged objects on the two face-to-face plates involved, and net charge strength in the ion adsorption layer responsible for the net electrostatic repulsion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Role of Alumina Basicity in CO 2 Uptake in 3‐Aminopropylsilyl‐Grafted Alumina Adsorbents

Abstract Oxide‐supported amine materials are widely known to be effective CO 2 sorbents under simulated flue‐gas and direct‐air‐capture conditions. Most work has focused on amine species loaded onto porous silica supports, though potential stability advantages may be offered through the use of porous alumina supports. Unlike silica materials, which are comparably inert, porous alumina materials can be tuned to have substantial acidity and/or basicity. Owing to their amphoteric nature, alumina supports play a more active role in CO 2 sorption than silica supports, potentially directly participating in the adsorption process. In this work, primary amines associated with 3‐aminopropyltriethoxysilane are grafted onto two different mesoporous alumina materials having different levels of basicity. Adsorbent materials with different amine loadings are prepared, and the CO 2 ‐adsorption behavior of similar amines on the two alumina supports is demonstrated to be different. At low amine loadings, the inherent properties of the support surface play a significant role, whereas at high amine loadings, when the alumina surface is effectively blocked, the sorbents prepared on the two supports behave similarly. At high amine loadings, amine–CO 2 –amine interactions are shown to dominate, leading to adsorbed species that appear similar to the species formed over silica‐supported amine materials. The sorbent properties are comprehensively characterized using N 2 physisorption analysis, in situ FTIR spectroscopy, and adsorption microcalorimetry.

Potter, Matthew E.↗
DOE OSTI2017

Maximizing Ion Transmission in Differential Mobility Spectrometry

We provide modeling and experimental data describing the dominant ion-loss mechanisms for differential mobility spectrometry (DMS). Ion motion is considered from the inlet region of the mobility analyzer to the DMS exit, and losses resulting from diffusion to electrode surfaces, insufficient effective gap, ion fragmentation, and fringing field effects are considered for a commercial DMS system with 1-mm gap height. It is shown that losses due to diffusion and radial oscillations can be minimized with careful consideration of residence time, electrode spacing, gas flow rate, and waveform frequency. Fragmentation effects can be minimized by limitation of the separation field. When these parameters were optimized, fringing field effects at the DMS inlet contributed the most to signal reduction. We also describe a new DMS cell configuration that improves the gas dynamics at the mobility cell inlet. The new cell provides a gas jet that decreases the residence time for ions within the fringing field region, resulting in at least twofold increase in ion signal as determined by experimental data and simulations. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Metal-free g-C{sub 3}N{sub 4} photocatalyst by sulfuric acid activation for selective aerobic oxidation of benzyl alcohol under visible light

Highlights: • A novel visible-light-driven acid-modified g-C{sub 3}N{sub 4} was prepared. • The texture, electronic and surface property were tuned by acid modification. • Acid-modified g-C{sub 3}N{sub 4} shows much higher activity for photocatalytic activity. • Acid sites on the surface of g-C{sub 3}N{sub 4} favor efficient charge separation. - Abstract: In this work, modification of graphitic carbon nitride photocatalyst with acid was accomplished with a facile method through reflux in different acidic substances. The g-C{sub 3}N{sub 4}-based material was found to be a metal-free photocatalyst useful for the selective oxidation of benzyl alcohol with dioxygen as the oxidant under visible light irradiation. Acid modification had a significant influence on the photocatalytic performance of g-C{sub 3}N{sub 4}. Among all acid tested, sulfuric acid-modified g-C{sub 3}N{sub 4} showed the highest catalytic activity and gave benzaldehyde in 23% yield for 4 h under visible light irradiation, which was about 2.5 times higher than that of g-C{sub 3}N{sub 4}. The acid modification effectively improved surface area, reduced structural size, enlarged band gap, enhanced surface chemical state, and facilitated photoinduced charge separation, contributing to the enhanced photocatalytic activity. It is hoped that our work can open promising prospects for the utilization of metal free g-C{sub 3}N{sub 4}-based semiconductor as visible-light photocatalyst for selective organic transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Low-energy ion beam sputtering of polycrystalline diamond

Ion beam milling is a highly versatile and precise technique for the microfabrication of diamond films, enabling controlled material removal at both micrometer and sub-micrometer scales while accommodating complex geometries and surface features. Comprehensive sputtering yield data are essential for process optimization. In this work, we systematically measure the sputter yield of polycrystalline diamond bombarded with $\textrm{N}_2^+$, Ne + , Ar + , Kr + , and Xe + ions over an energy range of 300–900 eV and beam incidence angles of 0°−80°, providing data critical for precision machining applications. Results show that the sputter yield increases with both ion energy and the incidence angle and decreases with increasing ion mass. For $\textrm{N}_2^+$ ions, the sputter yield is largely insensitive to ion energy and exceeds values expected for pure physical sputtering. The concurrent formation of volatile C 2 N 2 molecules during $\textrm{N}_2^+$ ion bombardment suggests that the process is dominated by chemical sputtering. The absence of a peak in the dependence of the sputter yield on the beam incidence angle expected at oblique incidence angles is attributed to the effects of surface roughness.

Materials science↗
DOE OSTI2017

Study of the formation of thermochemical laser-induced periodic surface structures on Cr, Ti, Ni and NiCr films under femtosecond irradiation

The formation of femtosecond laser-induced periodic surface structures (LIPSS’s) on Cr, Ti, Ni and NiCr films (with different Cr contents) is investigated. It is established that thermochemical LIPSS’s with periods of 950, 930 and 980 nm are formed, respectively, on the surfaces of titanium, chromium, and nichrome (with a chromium content of 20%); however, thermochemical LIPSS’s are not formed on the surfaces of nickel and nichrome with a low chromium content, although Raman data indicate that oxidation occurs in all cases. A weakly ordered ablated structure with a period of 250 – 300 nm is found to be formed on oxidised areas of thermochemical LIPSS’s in the case of chromium and nichrome (80/20). Experimental data on selective etching of thermochemical LIPSS’s on titanium and chromium films are presented. (paper)

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding Electric Double-Layer Gating Based on Ionic Liquids: from Nanoscale to Macroscale

In electric double-layer transistors (EDLTs), it is well known that the EDL formed by ionic liquids (ILs) can induce an ultrahigh carrier density at the semiconductor surface, compared to solid dielectric. However, the mechanism of device performance is still not fully understood, especially at a molecular level. In this study, we evaluate the gating performance of amorphous indium gallium zinc oxide (a-IGZO) transistor coupled with a series of imidazolium-based ILs, using an approach combining of molecular dynamics simulation and finite element modeling. Results reveal that the EDL with different ion structures could produce inhomogeneous electric fields at the solid–electrolyte interface, and the heterogeneity of electric field-induced charge distributions at semiconductor surface could reduce the electrical conductance of a-IGZO during gating process. Meanwhile, a resistance network analysis was adopted to bridge the nanoscopic data with the macroscopic transfer characteristics of IL-gated transistor, and showed that our theoretical results could well estimate the gating performance of practical devices. Finally, our findings could provide both new concepts and modeling techniques for IL-gated transistors.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Uniform Atmospheric Retrieval Analysis of Ultracool Dwarfs. II. Properties of 11 T dwarfs

Brown dwarf spectra are rich in information revealing of the chemical and physical processes operating in their atmospheres. We apply a recently developed atmospheric retrieval tool to an ensemble of late-T dwarf (600–800 K) near-infrared (1–2.5 μ m) spectra. With these spectra we are able to directly constrain the molecular abundances for the first time of H{sub 2}O, CH{sub 4}, CO, CO{sub 2}, NH{sub 3}, H{sub 2}S, and Na+K, surface gravity, effective temperature, thermal structure, photometric radius, and cloud optical depths. We find that ammonia, water, methane, and the alkali metals are present and that their abundances are well constrained in all 11 objects. We find no significant trend in the water, methane, or ammonia abundances with temperature, but find a very strong (>25 σ ) decreasing trend in the alkali metal abundances with decreasing effective temperature, indicative of alkali rainout. As expected from previous work, we also find little evidence for optically thick clouds. With the methane and water abundances, we derive the intrinsic atmospheric metallicity and carbon-to-oxygen ratios. We find in our sample that metallicities are typically subsolar (−0.4 < [ M /H] < 0.1 dex) and carbon-to-oxygen ratios are somewhat supersolar (0.4 < C/O < 1.2), different than expectations from the local stellar population. We also find that the retrieved vertical thermal profiles are consistent with radiative equilibrium over the photospheric regions. Finally, we find that our retrieved effective temperatures are lower than previous inferences for some objects and that some of our radii are larger than expectations from evolutionary models, possibly indicative of unresolved binaries. This investigation and method represent a new and powerful paradigm for using spectra to determine the fundamental chemical and physical processes governing cool brown dwarf atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Surface Mechanoengineering of a Zr-based Bulk Metallic Glass via Ar-Nanobubble Doping to Probe Cell Sensitivity to Rigid Materials

In this paper, a new materials platform, utilizing the amorphous microstructure of bulk metallic glasses (BMGs) and the versatility of ion implantation, was developed for the fundamental investigation of cell responses to substrate-rigidity variations in the gigapascal modulus range, which was previously unattainable with polymeric materials. The surface rigidity of a Zr-Al- Ni-Cu-Y BMG was modulated with low-energy Ar-ion implantation owing to the impartment of Ar nanobubbles into the amorphous matrix. Surface softening was achieved due to the formation of nanobubble-doped transitional zones in the Zrbased BMG substrate. Bone-forming cell studies on this newly designed platform demonstrated that mechanical cues, accompanied with the potential effects of other surface properties (i.e. roughness, morphology, and chemistry), contributed to modulating cell behaviors. Cell adhesion and actin filaments were found to be less established on less stiff surfaces, especially on the surface with an elastic modulus of 51 GPa. Cell growth appeared to be affected by surface mechanical properties. A lower stiffness was generally related to a higher growth rate. Findings in this study broadened our fundamental understanding concerning the mechanosensing of bone cells on stiff substrates. It also suggests that surface mechano-engineering of metallic materials could be a potential strategy to promote osseointegration of such materials for bone-implant applications. Further investigations are proposed to fine tune the ion implantation variables in order to further distinguish the surface-mechanical effect on bone-forming cell activities from the contributions of other surface properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Predicting river turbidity in Pine Island Bayou using machine learning techniques coupled with variational mode decomposition

Elevated turbidity levels pose significant public health risks by facilitating the transport of harmful pollutants, including metals, organic compounds, and pathogenic microorganisms into the surface water. These conditions create serious challenges for public recreational water use and drinking water treatment, leading to economic losses and health risks. This study utilizes water monitoring data in Pine Island Bayou, Texas, and develops a Sequence-to-Sequence (S2S) model to predict turbidity using Attention-based Gated Recurrent Units with Encoder-Decoder (AT-GRU-ED) and Long Short-Term Memory (LSTM), coupled with Variational Mode Decomposition (VMD). Compared to the model without VMD, the model demonstrates satisfactory 72-hour turbidity prediction performance, achieving MAEs of 2.60 and 3.29 NTU (reductions of 53% and 58%), RMSEs of 21.08 and 31.49 NTU (reductions of 82% and 80%), and R² values of 0.96 and 0.84 on the validation and test sets, respectively. Feature importance analysis reveals that water temperature is the dominant factor influencing seasonal turbidity patterns, while real-time hourly rainfall significantly contributes to short-term variability. Turbidity typically peaks within 48 hours after rainfall events due to lagged effects from surface runoff and upstream flow. Findings suggest suspending recreational water use and water supply pumping for three days after heavy rainfall can benefit public health and improve water treatment processes. Discharges above 100 m3/s are found to accelerate sediment dilution and transport, reducing turbidity levels more quickly after the peak. In conclusion, the proposed model demonstrates reliable 72-hour turbidity prediction, supporting decision-making for water treatment plant operations and providing early warning for public recreational water use.

Deep learning↗
DOE OSTI2024

The carbon challenge: Design, synthesis, and chemisorption behavior of solid sorbents in direct air capture of carbon dioxide

Direct air capture (DAC) of CO 2 is a promising solution for reducing the carbon footprint through "negative emission" technology. However, the low CO 2 concentration (~400 ppm) and the dynamic nature of DAC processes present challenges in designing effective sorbent systems. Recent advancements in material design and structural engineering have led to the development of high-performance solid sorbents, offering a more stable, safe, and energy-efficient alternative to traditional liquid CO 2 capture methods. This review highlights progress in solid sorbent-based DAC, focusing on amine-modified materials, hydrogen-bonded frameworks, and ionic liquid-engineered scaffolds. The discussion covers design principles, synthesis methodologies, and their impact on CO 2 chemisorption, comparing the advantages and limitations of each approach. Characterization techniques, especially operando methods and computational tools, are reviewed to understand sorbent behavior during CO 2 integration and release. The reaction pathways and interaction mechanisms of these sorbents with CO 2 are analyzed to guide future design. Additionally, the CO 2 chemisorption behaviors, including capacity, sorption kinetics, recyclability, and durability in the presence of gaseous impurities and under humid conditions will be evaluated and compared. Further, the review offers unique insights into the physical properties, chemical structures, and surface engineering effects of these sorbents, based on comprehensive characterization and evaluation techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Martensitic transformation behaviors of rapidly solidified Ti–Ni–Mo powders

For the fabrication of bulk near-net-shape shape memory alloys and porous metallic biomaterials, consolidation of Ti–Ni–Mo alloy powders is more useful than that of elemental powders of Ti, Ni and Mo. Ti{sub 50}Ni{sub 49.9}Mo{sub 0.1} shape memory alloy powders were prepared by gas atomization, and transformation temperatures and microstructures of those powders were investigated as a function of powder size. XRD analysis showed that the B2–R–B19 martensitic transformation occurred in powders smaller than 150 μm. According to DSC analysis of the as-atomized powders, the B2–R transformation temperature (T{sub R}) of the 25–50 μm powders was 18.4 °C. The T{sub R} decreased with increasing powder size, however, the difference in T{sub R} between 25–50 μm powders and 100–150 μm powders is only 1 °C. Evaluation of powder microstructures was based on SEM examination of the surface and the polished and etched powder cross sections and the typical images of the rapidly solidified powders showed cellular morphology. Porous cylindrical foams of 10 mm diameter and 1.5 mm length were fabricated by spark plasma sintering (SPS) at 800 °C and 5 MPa. Finally these porous TiNi alloy samples are heat-treated for 1 h at 850 °C, and then quenched in ice water. The bulk samples have 23% porosity and 4.6 g/cm{sup 3} density and their T{sub R} is 17.8 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A monotonicity preserving conservative sharp interface flow solver for high density ratio two-phase flows

This paper presents a novel approach for solving the conservative form of the incompressible two-phase Navier–Stokes equations. In order to overcome the numerical instability induced by the potentially large density ratio encountered across the interface, the proposed method includes a Volume-of-Fluid type integration of the convective momentum transport, a monotonicity preserving momentum rescaling, and a consistent and conservative Ghost Fluid projection that includes surface tension effects. The numerical dissipation inherent in the Volume-of-Fluid treatment of the convective transport is localized in the interface vicinity, enabling the use of a kinetic energy conserving discretization away from the singularity. Two- and three-dimensional tests are presented, and the solutions shown to remain accurate at arbitrary density ratios. The proposed method is then successfully used to perform the detailed simulation of a round water jet emerging in quiescent air, therefore suggesting the applicability of the proposed algorithm to the computation of realistic turbulent atomization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

An analytical expression for ion velocities at the wall including the sheath electric field and surface biasing for erosion modeling at JET ILW

For simulation of plasma-facing component erosion in fusion experiments, an analytical expression for the ion velocity just before the surface impact including the local electric field and an optional surface biasing effect is suggested. Energy and angular impact distributions and the resulting effective sputtering yields were produced for several experimental scenarios at JET ILW mostly involving PFCs exposed to an oblique magnetic field. The analytic solution has been applied as an improvement to earlier ERO modelling of localized, Be outer limiter, RF-enhanced erosion, modulated by toggling of a remote, however magnetically connected ICRH antenna. The effective W sputtering yields due to D and Be ion impact in Type-I and Type-III ELMs and inter-ELM conditions were also estimated using the analytical approach and benchmarked by spectroscopy. The intra-ELM W sputtering flux increases almost 10 times in comparison to the inter-ELM flux.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗