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DOE OSTI2021

Bacterial response to spatial gradients of algal-derived nutrients in a porous microplate

Abstract Photosynthetic microalgae are responsible for 50% of the global atmospheric CO2 fixation into organic matter and hold potential as a renewable bioenergy source. Their metabolic interactions with the surrounding microbial community (the algal microbiome) play critical roles in carbon cycling, but due to methodological limitations, it has been challenging to examine how community development is influenced by spatial proximity to their algal host. Here we introduce a copolymer-based porous microplate to co-culture algae and bacteria, where metabolites are constantly exchanged between the microorganisms while maintaining physical separation. In the microplate, we found that the diatom Phaeodactylum tricornutum accumulated to cell abundances ~20 fold higher than under normal batch conditions due to constant replenishment of nutrients through the porous structure. We also demonstrate that algal-associated bacteria, both single isolates and complex communities, responded to inorganic nutrients away from their host as well as organic nutrients originating from the algae in a spatially predictable manner. These experimental findings coupled with a mathematical model suggest that host proximity and algal culture growth phase impact bacterial community development in a taxon-specific manner through organic and inorganic nutrient availability. Our novel system presents a useful tool to investigate universal metabolic interactions between microbes in aquatic ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Ewald Summation Approach to Potential Models of Aqueous Electrolytes Involving Gaussian Charges and Induced Dipoles: Formal and Simulation Results

We present a detailed derivation of the complete set of expressions required for the implementation of an Ewald summation approach to handle the long-range electrostatic interactions of polar and ionic model systems involving Gaussian charges and induced dipole moments with a particular application to the isobaricisothermal molecular dynamics simulation of our Gaussian Charge Polarizable (GCP) water model and its extension to aqueous electrolytes solutions. The set comprises the individual components of the potential energy, electrostatic potential, electrostatic field and gradient, the electrostatic force and the corresponding virial. Moreover, we show how the derived expressions converge to known point-based electrostatic counterparts when the parameters, defining the Gaussian charge and induced-dipole distributions, are extrapolated to their limiting point values. Finally, we illustrate the Ewald implementation against the current reaction field approach by isothermal-isobaric molecular dynamics of ambient GCP water for which we compared the outcomes of the thermodynamic, microstructural, and polarization behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Measuring heat flux from collective Thomson scattering with non-Maxwellian distribution functions

Here, heat flux was measured in coronal plasmas using collective Thomson scattering from electron-plasma waves. A laser-produced plasma from a planar aluminum target created a temperature gradient along the target normal. Thomson scattering probed electron-plasma waves in the direction of the temperature gradient with phase velocities relevant to heat flux. The heat-flux measurements were reduced from classical values inferred from the measured plasma conditions in regions with large temperature gradients and agreed with classical values for weak gradients. In regions where classical theory was invalid, the heat flux was determined by reproducing the measured Thomson-scattering spectra using electron distribution functions consistent with nonlocal thermal transport. Lastly, full-scale hydrodynamic simulations using flux-limited thermal transport ( FLASH ) and the multigroup nonlocal Schurtz, Nicolai, and Busquet (SNB) models both underestimated the heat flux at all locations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Evaluating the Techno-Economic Feasibility of Forward Osmosis Process Utilizing Low Grade Heat: Applications in Power Plant Water, Wastewater, and Reclaimed Water Treatment

Recovering and using uncoverted heat produced during electric power generation holds potential to significantly improve the efficiency of the electric power industry. One potential use of this low-temperature waste heat is on-site water treatment using waste heat driven processes to comply with the 2015 Effluent Limitation Guidelines for the Steam Electric Generating Sector. Ammonia-carbon dioxide forward osmosis (NH 4 HCO 3 FO) is a two-step waste heat driven process that involves a membrane separation process in which an osmotic pressure gradient created by an NH 4 HCO 3 draw solution is used to pull water across the membrane and a distillation column to regenerate the NH 4 HCO 3 draw solution. In this work we estimate the quantity, quality, and spatio-temporal availability of waste heat produced at U.S. coal, nuclear, and natural gas plants. We combine these estimates of waste heat availability with a techno-economic optimization model of NH 4 HCO 3 FO in order to assess the potential of NH 4 HCO 3 FO to treat flue gas desulfurization (FGD) wastewater, gasification wastewater, and boiler feedwater. We find that in 2012, 18.9 billion GJ of waste heat was discharged from the U.S. coal, natural gas, and nuclear fleet, although only 900 million GJ of waste heat was discharged at temperatures suitable for NH 4 HCO 3 FO. A maximum of 1.9 billion m3/yr of water could be produced using this waste heat to drive a NH 4 HCO 3 FO. The costs of waste heat driven NH 4 HCO 3 FO for FGD and gasification wastewater treatment to zero liquid discharge (ZLD) and boiler feedwater treatment are 2.20-2.40/m 3 and 0.35-0.65/m 3 , respectively. With mechanical vapor compression and crystallization for ZLD wastewater treatment and reverse osmosis for boiler feedwater treatment as the cost benchmark technologies, waste heat driven NH 4 HCO 3 FO is cost competitive for ZLD wastewater treatment, but not boiler feedwater treatment.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2025

Chelation ion chromatography as an automated, and cost-effective analytical technique for REE determination: method development and applications

Rare earth elements (REEs), as critical minerals, have important uses in modern energy and technologies, yet are vulnerable to potential supply chain disruptions. To establish domestic REE supply chain, efficient REE detection methods for resource characterization and mineral processing will be needed to accelerate innovations for domestic REE recovery. This study developed a rapid, novel, and cost-effective for REE detection method using ion chromatography (IC) for aqueous samples. Various REE-targeted eluent gradients and post-column agent compositions were tested on the chelation ion chromatography (CIC) with UV-vis detector for optimal separation and quantification of REEs within approximately 20 min. The single-channel pump to deliver the post-column solution to UV-vis detector was replaced with a 4-channel gradient pump, to increase operation and maintenance efficiencies. After method optimization, resulting calibration curves for more than ten REEs achieved high coefficients of determination (R2>0.999) and low relatively standard deviations (below 3.24%), demonstrating sub-ppm level detection limits (0.0897 to 0.1149 mg/L). The reliability of the CIC method was validated through comparison with inductively coupled plasma mass spectrometry (ICP-MS), showing strong agreement in REE recovery from certified standards. The impact of metal ions and salts on REE recovery using CIC was also systematically investigated. CIC consistently exhibited reliable performance in the presence of salt solutions such as NaCl and Na₂SO₄ (up to 10,000 mg/L). Our study also found the presence of high concentrations of Al ions (at 10,000 mg/L) significantly influenced REE determination, and elevated concentrations of Ca ions affected the recovery of specific REEs, including La, Ce, and Pr. The CIC method was further tested on REE-containing eluents from solvent extraction tests out of fly ash leachates. REE detection from these real processing fluids were reported to achieve 90% to 100% recovery rate from our IC method, compared to ICP-MS results. This study underscores the potential of CIC as a reliable and efficient alternative for REE determination in complex matrices. It also highlights the importance of minimizing select interfering metal ions in solutions to ensure accurate results. The REE CIC method presents a promising, low-maintenance, salt-tolerant, and cost-effective alternative to traditional analytical methods for REE analysis.

detection of rare earth elements (REE)↗

NASA NTRS1988

Three-dimensional analysis of a postbuckled embedded delamination

Delamination growth caused by local buckling of a delaminated group of plies was investigated. Delamination growth was assumed to be governed by the strain energy release rates, G(1), G(2) and G(3). The strain energy release rates were calculated using a geometrically nonlinear three-dimensional finite element analysis. The program is described and several checks of the analysis are discussed. Based on a limited parametric study, the following conclusions were reached: (1) the problem is definitely mixed mode (in some cases G(1) is larger than G(2), for other cases the opposite is true); (2) in general, there is a large gradient in the strain energy release rates along the delamination front; (3) the locations of maximum G(1) and G(2) depend on the delamination shape and the applied strain; (4) the mode 3 component was negligible for all cases considered; and (5) the analysis predicted that parts of the delamination would overlap. The results presented did not impose contact constraints to prevent overlapping. Further work is needed to determine the effects of allowing the overlapping.

Whitcomb, John D.↗

NASA NTRS1988

Active control law synthesis for flexible aircraft

An application of an active control law synthesis procedure is presented, to meet multiple design requirements for a flexible aircraft modeled by a large order state space system. In this synthesis procedure, a linear quadratic Gaussian type cost function is minimized by updating the free parameters of the control law, while satisfying a set of constraints on the design loads, responses and stability margins. Analytical expressions for gradients of the cost function and the constraints, with respect to the control law design variables are used to facilitate rapid numerical convergence. These gradients can also be used for sensitivity study. A stable classical control law as well as an estimator-based full or reduced order control law can be modified, in order to meet individual root-mean-square response limitations as well as minimum singular value restrictions. Both analog and digital control laws can be optimized. Low order, robust control laws were synthesized for flutter suppression of a flexible aircraft.

Mukhopadhyay, V.↗

NASA NTRS1989

Three-dimensional analysis of a postbuckled embedded delamination

Whitcomb, John D.↗

NASA NTRS2000

The Use of Ferrofluids to Model Materials Processing (MSFC Center Director's Discretionary Fund)

Many crystals grown in space have structural flaws believed to result from convective motions during the growth phase. The character of these instabilities is not well understood but is associated with thermal and solutal density variations near the solidification interface in the presence of residual gravity and g-jitter. To study these instabilities in a separate, controlled space experiment, a concentration gradient would first have to be artificially established in a timely manner as an initial condition. This is generally difficult to accomplish in a microgravity environment because the momentum of the fluid injected into a test cell tends to swirl around and mix in the absence of a restoring force. The use of magnetic fields to control the motion and position of liquids has received recent, growing interest. The possibility of using the force exerted by a non-uniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for space applications. This paper describes a technique for quickly establishing a linear or exponential fluid concentration gradient using a magnetic field in place of gravity to stabilize the deployment. Also discussed is a photometric technique for measuring the concentration profile using light attenuation. Although any range of concentrations can be realized, photometric constraints impose some limitations on measurements. Results of the ground-based experiments indicate that the species distribution is within 3 percent of the predicted value.

Leslie, F.↗

NASA NTRS2005

Tools for Designing and Analyzing Structures

Structural Design and Analysis Toolset is a collection of approximately 26 Microsoft Excel spreadsheet programs, each of which performs calculations within a different subdiscipline of structural design and analysis. These programs present input and output data in user-friendly, menu-driven formats. Although these programs cannot solve complex cases like those treated by larger finite element codes, these programs do yield quick solutions to numerous common problems more rapidly than the finite element codes, thereby making it possible to quickly perform multiple preliminary analyses - e.g., to establish approximate limits prior to detailed analyses by the larger finite element codes. These programs perform different types of calculations, as follows: 1. determination of geometric properties for a variety of standard structural components; 2. analysis of static, vibrational, and thermal- gradient loads and deflections in certain structures (mostly beams and, in the case of thermal-gradients, mirrors); 3. kinetic energies of fans; 4. detailed analysis of stress and buckling in beams, plates, columns, and a variety of shell structures; and 5. temperature dependent properties of materials, including figures of merit that characterize strength, stiffness, and deformation response to thermal gradients

Luz, Paul L.↗

NASA NTRS2013

Neutron Characterization for Additive Manufacturing

Oak Ridge National Laboratory (ORNL) is leveraging decades of experience in neutron characterization of advanced materials together with resources such as the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) shown in Fig. 1 to solve challenging problems in additive manufacturing (AM). Additive manufacturing, or three-dimensional (3-D) printing, is a rapidly maturing technology wherein components are built by selectively adding feedstock material at locations specified by a computer model. The majority of these technologies use thermally driven phase change mechanisms to convert the feedstock into functioning material. As the molten material cools and solidifies, the component is subjected to significant thermal gradients, generating significant internal stresses throughout the part (Fig. 2). As layers are added, inherent residual stresses cause warping and distortions that lead to geometrical differences between the final part and the original computer generated design. This effect also limits geometries that can be fabricated using AM, such as thin-walled, high-aspect- ratio, and overhanging structures. Distortion may be minimized by intelligent toolpath planning or strategic placement of support structures, but these approaches are not well understood and often "Edisonian" in nature. Residual stresses can also impact component performance during operation. For example, in a thermally cycled environment such as a high-pressure turbine engine, residual stresses can cause components to distort unpredictably. Different thermal treatments on as-fabricated AM components have been used to minimize residual stress, but components still retain a nonhomogeneous stress state and/or demonstrate a relaxation-derived geometric distortion. Industry, federal laboratory, and university collaboration is needed to address these challenges and enable the U.S. to compete in the global market. Work is currently being conducted on AM technologies at the ORNL Manufacturing Demonstration Facility (MDF) sponsored by the DOE's Advanced Manufacturing Office. The MDF is focusing on R&D of both metal and polymer AM pertaining to in-situ process monitoring and closed-loop controls; implementation of advanced materials in AM technologies; and demonstration, characterization, and optimization of next-generation technologies. ORNL is working directly with industry partners to leverage world-leading facilities in fields such as high performance computing, advanced materials characterization, and neutron sciences to solve fundamental challenges in advanced manufacturing. Specifically, MDF is leveraging two of the world's most advanced neutron facilities, the HFIR and SNS, to characterize additive manufactured components.

Watkins, Thomas↗

NASA NTRS2016

Magnetospheric Multiscale Observations of the Electron Diffusion Region of Large Guide Field Magnetic Reconnection

We report observations from the Magnetospheric Multiscale (MMS) satellites of a large guide field magnetic reconnection event. The observations suggest that two of the four MMS spacecraft sampled the electron diffusion region, whereas the other two spacecraft detected the exhaust jet from the event. The guide magnetic field amplitude is approximately 4 times that of the reconnecting field. The event is accompanied by a significant parallel electric field (E(sub parallel lines) that is larger than predicted by simulations. The high-speed (approximately 300 km/s) crossing of the electron diffusion region limited the data set to one complete electron distribution inside of the electron diffusion region, which shows significant parallel heating. The data suggest that E(sub parallel lines) is balanced by a combination of electron inertia and a parallel gradient of the gyrotropic electron pressure.

Eriksson, S.↗

DOE OSTI2015

PERFORMANCE EVALUATION OF CEILING RADIANT COOLING SYSTEM IN COMPOSITE CLIMATE

Radiant cooling systems are proving to be an energy efficient solution due to higher thermal capacity of cooling fluid especially for the buildings that require individual zone controls and where the latent loads are moderate. The Conventional air conditioners work at very low temperature i.e.5-8 c (refrigerant evaporator inlet) while the radiant cooling systems, also referred as high temperature cooling system, work at high temperatures i.e. 14-18 c. The radiant cooling systems can maintain lower MRT (Mean Radiant Temperature) as ceiling panels maintain uniform temperature gradient inside room and provide higher human comfort. The radiant cooling systems are relatively new systems and their operation and energy savings potential are not quantified for a large number of buildings and operational parameters. Moreover, there are only limited numbers of whole building simulation studies have been carried out for these systems to have a full confidence in the capability of modelling tools to simulate these systems and predict the impact of various operating parameters. Theoretically, savings achieve due to higher temperature set point of chilled water, which reduces chiller-running time. However, conventional air conditioner runs continuously to maintain requisite temperature. In this paper, experimental study for performance evaluation of radiant cooling system carried out on system installed at Malaviya National Institute of Technology Jaipur. This paper quantifies the energy savings opportunities and effective temperature by radiant cooling system at different chilled water flow rates and temperature range. The data collected/ analysed through experimental study will used for calibration and validation of system model of building prepared in building performance simulation software. This validated model used for exploring optimized combinations of key parameters for composite climate. These optimized combinations will used in formulation of radiant cooling system operations control strategy.

Ceiling Panels↗

DOE OSTI2019

Development of Functionally Graded Material Capabilities in Large-scale Extrusion Deposition Additive Manufacturing

Additive manufacturing’s (AM) layer-by-layer nature is well-suited to the production of Functionally Graded Materials (FGM) with discrete material boundaries. Extrusion deposition is especially advantageous since multiple nozzles easily accommodate the inclusion of additional materials. However, discrete interfaces and sudden composition changes can limit the functionality of a printed part through inherently weak bonding. Furthermore, same-layer transitions are not only difficult to execute, but also further amplify structural weaknesses by creating multiple discrete interfaces. Therefore, successfully implementing a blended, continuous gradient will greatly advance the applicability of FGM in additive manufacturing. The pellet-fed nature and integrated screw design of the Big Area Additive Manufacturing system enables material mixing needed for development of this capability. Using constituent content analysis, this study evaluates the transition behavior of a neat ABS/CF-ABS material pair and characterizes the repeatability of the mixing and printing process, which ultimately leads to control of site-specific material deposition and properties.

Brackett, James↗

DOE OSTI2016

Towards physics responsible for large-scale Lyman-α forest bias parameters

Using a series of carefully constructed numerical experiments based on hydrodynamic cosmological SPH simulations, we attempt to build an intuition for the relevant physics behind the large scale density (b δ ) and velocity gradient (b η ) biases of the Lyman-α forest. Starting with the fluctuating Gunn-Peterson approximation applied to the smoothed total density field in real-space, and progressing through redshift-space with no thermal broadening, redshift-space with thermal broadening and hydrodynamically simulated baryon fields, we investigate how approximations found in the literature fare. We find that Seljak's 2012 analytical formulae for these bias parameters work surprisingly well in the limit of no thermal broadening and linear redshift-space distortions. We also show that his b η formula is exact in the limit of no thermal broadening. Since introduction of thermal broadening significantly affects its value, we speculate that a combination of large-scale measurements of b η and the small scale flux PDF might be a sensitive probe of the thermal state of the IGM. Lastly, we find that large-scale biases derived from the smoothed total matter field are within 10–20% to those based on hydrodynamical quantities, in line with other measurements in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Influence of Electronic Type Purity on the Lithiation of Single-Walled Carbon Nanotubes

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energy storage (including batteries and capacitors↗

DOE OSTI2017

Discontinuous Skeletal Gradient Discretisation methods on polytopal meshes

Here, in this work we develop arbitrary-order Discontinuous Skeletal Gradient Discretisations (DSGD) on general polytopal meshes. Discontinuous Skeletal refers to the fact that the globally coupled unknowns are broken polynomials on the mesh skeleton. The key ingredient is a high-order gradient reconstruction composed of two terms: (i) a consistent contribution obtained mimicking an integration by parts formula inside each element and (ii) a stabilising term for which sufficient design conditions are provided. An example of stabilisation that satisfies the design conditions is proposed based on a local lifting of high-order residuals on a Raviart–Thomas–Nédélec subspace. We prove that the novel DSGDs satisfy coercivity, consistency, limit-conformity, and compactness requirements that ensure convergence for a variety of elliptic and parabolic problems. Lastly, links with Hybrid High-Order, non-conforming Mimetic Finite Difference and non-conforming Virtual Element methods are also studied. Numerical examples complete the exposition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Instabilities and phase transitions in architected metamaterials: a gradient-enhanced continuum approach

Architected metamaterials such as foams and lattices exhibit a wide range of properties governed by microstructural instabilities and emerging phase transitions. Their macroscopic response–including energy dissipation during impact, large recoverable deformations, morphing between configurations, and auxetic behavior–remains difficult to capture with conventional continuum models, which often rely on discrete approaches that limit scalability. In this work, we propose a nonlocal continuum formulation that captures both stable and unstable responses of elastic architected metamaterials. The framework extends anisotropic hyperelasticity by introducing nonlocal variables and internal length scales reflective of microstructural features. Local polyconvex free-energy models are systematically augmented with two families of non-(poly)convex energies, enabling both metastable and bistable responses. Implementation in a finite element framework enables solution using a hybrid monolithic–staggered strategy. Simulations capture densification fronts, forward and reverse transitions, hysteresis loops, imperfection sensitivity, and globally coordinated auxetic modes. Overall, this framework provides a robust foundation for accelerated modeling of instability-driven phenomena in architected metamaterials, while enabling extensions to anisotropic, dissipative, and active systems as well as integration with data-driven and machine learning approaches.

42 ENGINEERING↗