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At least 163 records · Page 9

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DOE OSTI2025

Mesoscale Modeling of Hydrogels Under Frictional Shear Stress

Hydrogels are three-dimensional networks of hydrophilic polymers often used as a simplified model of hydrated biological materials, from cartilaginous joints to the ocular tear film. However, the lubrication mechanisms of hydrogels remain poorly understood, partly due to their complex polymeric structure, which creates blurred interfaces during sliding that are challenging to study experimentally. In this study, we employ dissipative particle dynamics (DPD) to investigate the frictional behavior of a polymeric hydrogel network sliding against a solid wall in an explicit viscous solvent. This computational approach enables us to model hydrodynamic interactions and mesoscale polymer dynamics, capturing key aspects of hydrogel friction. Our simulations reveal that hydrogel friction is governed by the interplay between polymer relaxation and viscous shear, characterized by the Weissenberg number (Wi). At low Wi, friction coefficient remain nearly constant, dominated by polymer relaxation. However, at higher Wi, friction is dominated by viscous drag within a near-wall solvent layer, leading to a linear increase in friction coefficient with Wi. Furthermore, our results demonstrate an inverse relationship between the friction coefficient and the applied normal load, consistent with experimental observations. This work provides new insights into the fundamental tribological properties of hydrogels, shedding light on the micromechanics of hydrogel friction. Improving our understanding of hydrogel structure and dynamics under friction advances our knowledge of the mechanisms regulating biological lubrication in health and disease.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Kinetic Pathways to Diblock Copolymer Micelles via Thin Film Dissolution and Cosolvent Variation

We investigate how processing pathways control micelle formation during dissolution of lamellar diblock copolymers using dissipative particle dynamics (DPD) simulations and DPD-selfconsistent field theory (DPD-SCFT). Comparing thin film (TF) and cosolvent-assisted (CS) dissolution reveals fundamentally different micellization mechanisms and final states. In the TF pathway, dissolution proceeds through a metastable cylindrical intermediate that dictates final micelle dimensions. The lamellar melt first transforms into cylindrical micelles, which then fragment into spherical micelles. The final spherical radius is intrinsically linked to the cylinder radius by a constant ratio, Rsphere ≈ 1.4Rcylinder. DPD-SCFT confirms that both cylinders and spheres are near their equilibrium dimensions. In contrast, CS dissolution produces kinetically trapped micelles with sizes significantly below equilibrium. Micellization is hindered by high free energy barriers to single-chain exchange and fusion. Growth occurs primarily via fusion, but increasing corona repulsion suppresses further coarsening, preventing equilibration. These results demonstrate that, when starting from a bulk copolymer phase, the metastable cylindrical intermediate plays a central role in determining final micelle size.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Calculating the space-charge-limited current density for nonplanar geometries by simulating the charge-free electric field

Calculating the space-charge-limited-current density (SCLCD) for a complicated diode geometry often requires computationally expensive particle-in-cell (PIC) codes. Here, this paper addresses this issue by using the charge-free electric field $E_0$ calculated using COMSOL Multiphysics to determine local and global SCLCD. The SCLCD obtained by using the surface average of $|E_0|^2$ on the cathode recovers theoretical results for one-dimensional (1D) planar, cylindrical, and tip-to-tip geometries in appropriate limits. We next compared tip-to-tip calculations with the SCLCD obtained using the PIC code Empire. The SCLCD calculated using COMSOL agreed well with Empire for flatter 1D tip-to-tip geometries and diverged with increasing sharpness. Physically, Empire predicts lower SCLCD than COMSOL because the electrons spread due to concentrated space-charge at the tip, whereas theory assumes that the electrons follow the charge-free electric field lines. We further assess the behavior of the SCLCD for tips protruding from the centers of flat, circular plates of various areas. Larger plate areas with constant tip size recover the 1D planar SCLCD globally and 1D tip-to-tip SCLCD locally, while reducing the difference between Empire and COMSOL calculations since larger plates capture more of the emitted electrons, reducing SCLCD suppression due to beam spreading. These results show that charge-free electric field simulations can be used to determine the SCLCD without needing to simulate particle dynamics in PIC.

Wright, Jack K. [Purdue Univ., West Lafayette, IN ↗

DOE OSTI2025

Wall conditioning effects of boron powder injection in KSTAR with a tungsten divertor

Boron powder dropped into KSTAR plasmas decreased the radiated power, core electron density, and Z eff , indicating that the ablated and redeposited boron powder helped to condition the plasma-facing surfaces. Visible line emission of oxygen and tungsten were also reduced by 50% (80%) with boron injection into H-mode (L-mode) discharges that used the new KSTAR tungsten monoblock lower divertor. Dynamic particle balance analysis found a negligible difference in the inferred wall pumping rate during the steady portion of the discharges. It is inferred that the observed conditioning effects were principally caused by a reduction in intrinsic impurities as opposed to a reduction in wall recycling. These results are in qualitative agreement with low-Z injected powder experiments across many fusion devices, confirming the utility of low-Z powder injection as a real-time wall conditioning tool.

boron powder injection↗

DOE OSTI2024

Droplet bioprinting of acellular and cell-laden structures at high-resolutions

Advances in digital light projection(DLP) based (bio) printers have made printing of intricate structures at high resolution possible using a wide range of photosensitive bioinks. A typical setup of a DLP bioprinter includes a vat or reservoir filled with liquid bioink, which presents challenges in terms of cost associated with bioink synthesis, high waste, and gravity-induced cell settling, contaminations, or variation in bioink viscosity during the printing process. Here, we report a vat-free, low-volume, waste-free droplet bioprinting method capable of rapidly printing 3D soft structures at high resolution using model bioinks and model cells. A multiphase many-body dissipative particle dynamics model was developed to simulate the dynamic process of droplet-based DLP printing and elucidate the roles of surface wettability and bioink viscosity. Process variables such as light intensity, photo-initiator concentration, and bioink formulations were optimized to print 3D soft structures (∼0.4–3 kPa) with a typical layer thickness of 50 µm, an XY resolution of 38 ± 1.5 μm and Z resolution of 237 ± 5.4 µm. To demonstrate its versatility, droplet bioprinting was used to print a range of acellular 3D structures such as a lattice cube, a Mayan pyramid, a heart-shaped structure, and a microfluidic chip with endothelialized channels. Droplet bioprinting, performed using model C3H/10T1/2 cells, exhibited high viability (90%) and cell spreading. Additionally, microfluidic devices with internal channel networks lined with endothelial cells showed robust monolayer formation while osteoblast-laden constructs showed mineral deposition upon osteogenic induction. Overall, droplet bioprinting could be a low-cost, no-waste, easy-to-use, method to make customized bioprinted constructs for a range of biomedical applications.

DLP↗

DOE OSTI2024

A versatile approach to stabilize liquid-liquid interfaces using surfactant self-assembly

Stabilizing liquid–liquid interfaces, whether between miscible or immiscible liquids, is crucial for a wide range of applications, including energy storage, microreactors, and biomimetic structures. In this study, a versatile approach for stabilizing the water-oil interface is presented using the morphological transitions that occur during the self-assembly of anionic, cationic, and nonionic surfactants mixed with fatty acid oils. The morphological transitions underlying this approach are characterized and extensively studied through small-angle X-ray scattering (SAXS), rheometry, and microscopy techniques. Dissipative particle dynamics (DPD) as a simulation tool is adopted to investigate these morphological transitions both in the equilibrium ternary system as well as in the dynamic condition of the water-oil interface. Such a versatile strategy holds promise for enhancing applications such as liquid-in-liquid 3D printing. Moreover, it has the potential to revolutionize a wide range of fields where stabilizing liquid–liquid interfaces not only offers unprecedented opportunities for fine-tuning nanostructural morphologies but also imparts interesting practical features to the resulting liquid shapes. These features include perfusion capabilities, self-healing, and porosity, which could have significant implications for various industries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Studies of particle transport in high-energy-density plasma in the presence of a megagauss magnetic field

Charged particle transport in a magnetic field is among the most fundamental phenomena in plasma physics. Magnetic fields are often introduced in conventional magnetized fusion devices to suppress particle and heat transport, a phenomenon that has been extensively studied. In contrast, particle and heat transport in magnetized high-energy-density (HED) plasmas remain relatively unexplored due to the challenges of generating an external magnetic field strong enough to significantly alter particle dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1972

Fokker-Planck equations for charged-particle transport in random fields.

The Fokker-Planck equations for charged-particle dynamics are rederived, extending somewhat the elegant discussion of Hasselmann and Wibberenz. It is shown that the usual results are obtae and the conclusions in many cases are correct over a very broad range in energy. In particular, the rate for pitch-angle scattering may be accurately given down to energies much lower than previously thought. Recent claims that these Fokker-Planck equations are in general incorrect are thus shown to be in error.

Jokipii, J. R.↗

NASA NTRS1974

Apollo-Skylab contamination photography (S226)

Photographs taken on Apollo 16 before, during, and after a water dump were analyzed for residual background brightness, particle dynamics, and time decay of background brightness. No conclusive results were obtained because of the illumination of the windows or window openings by extraneous light sources.

Craven, P. D.↗

NASA NTRS1976

Investigation of interplanetary dust from out-of-ecliptic space probes

Measurements of interplanetary dust via zodiacal light observations and direct detection are discussed for an out-of-ecliptic space probe. Particle fluxes and zodiacal light brightnesses were predicted for three models of the dust distribution. These models predict that most of the information will be obtained at space probe distances less than 1 A.U. from the ecliptic plane. Joint interpretation of the direct particle measurements and the zodiacal light data can yield the best knowledge of the three-dimensional particle dynamics, spatial distribution, and physical characteristics of the interplanetary dust. Such measurements are important for an understanding of the origin and role of the dust in relation to meteoroids, asteroids, and comets, as well as the interaction of the dust with solar forces.

Fechtig, H.↗

NASA NTRS1977

Microscopic Lagrangian description of warm plasmas. I - Linear wave propagation. II - Nonlinear wave interactions

It is pointed out that the conventional iterative analysis of nonlinear plasma wave phenomena, which involves a direct use of Maxwell's equations and the equations describing the particle dynamics, leads to formidable theoretical and algebraic complexities, especially for warm plasmas. As an effective alternative, the Lagrangian method may be applied. It is shown how this method may be used in the microscopic description of small-signal wave propagation and in the study of nonlinear wave interactions. The linear theory is developed for an infinite, homogeneous, collisionless, warm magnetoplasma. A summary is presented of a perturbation expansion scheme described by Galloway and Kim (1971), and Lagrangians to third order in perturbation are considered. Attention is given to the averaged-Lagrangian density, the action-transfer and coupled-mode equations, and the general solution of the coupled-mode equations.

Kim, H.↗

NASA NTRS1978

Quantum mechanical theory of collisional ionization in the presence of intense laser radiation

The paper presents a quantum mechanical formalism for treating ionizing collisions occurring in the presence of an intense laser field. Both the intense laser radiation and the internal electronic continuum states associated with the emitted electrons are rigorously taken into account by combining discretization techniques with expansions in terms of electronic-field representations for the quasi-molecule-plus-photon system. The procedure leads to a coupled-channel description of the heavy-particle dynamics which involves effective electronic-field potential surfaces and continua. It is suggested that laser-influenced ionizing collisions can be studied to verify the effects of intense laser radiation on inelastic collisional processes. Calculation procedures for electronic transition dipole matrix elements between discrete and continuum electronic states are outlined.

Bellum, J. C.↗

NASA NTRS1978

Interplanetary electrons - What is the strength of the Jupiter source

On the basis of conservative assumptions, a phenomenological approach is used to address the source strength of Jupiter for interplanetary electrons. It is estimated that Jupiter emits approximately 10 to the 24th - 10 to the 26th electrons per sec with energies in excess of 6 MeV, which sources may be compared with the population of approximately 3 x 10 to the 28th electrons of the same energy in the Jovian outer magnetosphere. It is concluded that Jupiter accelerates particles at a rate exceeding that of ordinary trapped particle dynamic processes.

Fillius, W.↗

NASA NTRS1980

Modulation of terrestrial ion escape flux composition /by low-altitude acceleration and charge exchange chemistry/

Motivated by recent observations of highly variable hot plasma composition in the magnetosphere, control of the ionospheric escape flux composition by low-altitude particle dynamics and ion chemistry has been investigated for an e(-), H(+), O(+) ionosphere. It is found that the fraction of the steady state escape flux which is O(+) can be controlled very sensitively by the occurrence of parallel or transverse ion acceleration at altitudes below the altitude where the neutral oxygen density falls rapidly below the neutral hydrogen density and the ionospheric source of O(+) tends to be rapidly converted by charge exchange to H(+). The acceleration is required both to overcome the gravitational confinement of O(+) and to violate charge exchange equilibrium so that the neutral hydrogen atmosphere appears 'optically' thin to escaping O(+). Constraints are placed on the acceleration processes, and it is shown that O(+) escape is facilitated by observed ionospheric responses to magnetic activity.

Moore, T. E.↗

NASA NTRS1982

Comparison of laser anemometer measurements and theory in an annular turbine cascade with experimental accuracy determined by parameter estimation

Experimental measurements of the velocity components in the blade to blade (axial tangential) plane were obtained with an axial flow turbine stator passage and were compared with calculations from three turbomachinery computer programs. The theoretical results were calculated from a quasi three dimensional inviscid code, a three dimensional inviscid code, and a three dimensional viscous code. Parameter estimation techniques and a particle dynamics calculation were used to assess the accuracy of the laser measurements, which allow a rational basis for comparison of the experimenal and theoretical results. The general agreement of the experimental data with the results from the two inviscid computer codes indicates the usefulness of these calculation procedures for turbomachinery blading. The comparison with the viscous code, while generally reasonable, was not as good as for the inviscid codes.

Goldman, L. J.↗

NASA NTRS1983

Apparatus for continuous, fast, and precise measurements of position and velocity of a small spherical particle

The position and velocity of optically levitated glass spheres (radii 10-20 microns) movng in a gas are measured accurately, rapidly, and continuously using a high-speed rotating polygon mirror. The experimental technique developed here has repeatable position accuracies better than 20 microns. Each measurement takes less than 1 microsec and can be repeated every 100 microsec. The position of the levitated glass spheres can be manipulated accurately by modulating the laser power with an acoustic optic modulator. The technique provides a fast and accurate method to study general particle dynamics in a fluid.

Venkataraman, T. S.↗

NASA NTRS1985

ISEE particle observations of surface waves at the magnetopause boundary layer

The dual-spacecraft ISEE mission provides a unique opportunity to study the motions of the magnetopause and adjacent boundary layer. By comparing high-time-resolution energetic particle data from ISEE 1 to those of ISEE 2, the velocity and orientation of the inner boundary of the boundary layer can be determined. Two cases are presented. In one, tailward propagating sinusoidally shaped surface waves with a wavelength in excess of 42,000 km and an amplitude of approximately 5000 km are found. In the other, surface waves are indicated with a wavelength of approximately 40,000 km and an amplitude of approximately 11,000 km having steepened nonsinusoidal shapes. The existence of such large-amplitude waves suggests that the particle dynamics near the magnetopause support nonlinear processes.

Couzens, D.↗

NASA NTRS1986

Aeolian processes aboard a space station: Saltation and particle trajectory analysis

The Carousel wind tunnel (CWT) proposed to study aeolian processes aboard a space station consists of two concentric rotating drums. The space between the two drums comprises the wind tunnel test section. Differential rates of rotation of the two drums would provide a wind velocity with respect to either drum surface. Preliminary results of measured velocity profiles made in a CWT prototype indicate that the wall bounded boundary layer profiles are suitable to simulate flat plate turbulent boundary layer flow. The two dimensional flat plate Cartesian coordinate equations of motion of a particle moving through the air are explained. In order to assess the suitability of CWT in the analysis of the trajectories of windblown particles, a series of calculations were conducted comparing cases for gravity with those of zero gravity. Results from the calculations demonstrate that a wind tunnel of the carousel design could be fabricted to operate in a space station environment and that experiments could be conducted which would yield significant results contributing to the understanding of the physics of particle dynamics.

White, B. R.↗