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Numerical Calculation of the Drag Force Acting on a Solid Particle Pushed by a Solid/Liquid Interface

The distribution of insoluble particles in a metal casting depends primarily on the interaction of the particles with the solid/liquid interface (SLI) during the solidification process. The balance of the forces acting on the particle essentially determines whether a particle will be engulfed or pushed by the SLI. An important component of this force balance is the drag force generated by the particle motion in front of the SLI. Previously developed mathematical models for particle/SLI interaction made use of steady-state solutions of this force provided by the lubrication theory. However, our numerical model based on the SLI tracking approach shows that the steady-state approach is inappropriate to model the interaction process and that at steady-state the theoretical solution underestimates the drag force. It was found that regression analysis of steady-state numerical solutions for cylindrical particles moving normal to a flat SLI gives a relationship of the form: Abstract The distribution of insoluble particles in a metal casting depends primarily on the interaction of the particles with the solid/liquid interface (SLI) during the solidification process. The balance of the forces acting on the particle essentially determines whether a particle will be engulfed or pushed by the SLI. An important component of this force balance is the drag force generated by the particle motion in front of the SLI. Previously developed mathematical models for particle/SLI interaction made use of steady-state solutions of this force provided by the lubrication theory. However, our numerical model based on the SLI tracking approach shows that the steady-state approach is inappropriate to model the interaction process and that at steady-state the theoretical solution underestimates the drag force. It was found that regression analysis of steady-state numerical solutions for cylindrical particles moving normal to a flat SLI gives a relationship of the form: F(sub D, sup num) =sqoare root of 3(pi)(eta)V(sub p)(R(sub p)/d)(sup 10(gamma)/3). This is to compared to the solution provided by the lubrication theory: F(sub D), sup theor) = 3 square root of 2(pi)(eta)V(sub p)(R(sub p)/d)(sub 3/2), where F(sub D) is the drag force, eta is the dynamic viscosity of the fluid, V(sub p) is the particle velocity, R(sub p) is the particle radius, gamma is Euler's constant (gamma approx. = 0.577), and d is the width of the gap between the particle and the SLI. The domain on which the equations proposed by the lubrication theory are relevant is clearly identified in the paper. The numerical model was then validated against the classical lubrication theory within the domain of its validity.

Catalina, Adrian V.↗

A USCLIVAR Project to Assess and Compare the Responses of Global Climate Models to Drought-Related SST Forcing Patterns: Overview and Results

The USCLI VAR working group on drought recently initiated a series of global climate model simulations forced with idealized SST anomaly patterns, designed to address a number of uncertainties regarding the impact of SST forcing and the role of land-atmosphere feedbacks on regional drought. Specific questions that the runs are designed to address include: What are the mechanisms that maintain drought across the seasonal cycle and from one year to the next? What is the role of the leading patterns of SST variability, and what are the physical mechanisms linking the remote SST forcing to regional drought, including the role of land-atmosphere coupling? The runs were carried out with five different atmospheric general circulation models (AGCM5), and one coupled atmosphere-ocean model in which the model was continuously nudged to the imposed SST forcing. This paper provides an overview of the experiments and some initial results focusing on the responses to the leading patterns of annual mean SST variability consisting of a Pacific El Nino/Southern Oscillation (ENSO)-like pattern, a pattern that resembles the Atlantic Multi-decadal Oscillation (AMO), and a global trend pattern. One of the key findings is that all the AGCMs produce broadly similar (though different in detail) precipitation responses to the Pacific forcing pattern, with a cold Pacific leading to reduced precipitation and a warm Pacific leading to enhanced precipitation over most of the United States. While the response to the Atlantic pattern is less robust, there is general agreement among the models that the largest precipitation response over the U.S. tends to occur when the two oceans have anomalies of opposite sign. That is, a cold Pacific and warm Atlantic tend to produce the largest precipitation reductions, whereas a warm Pacific and cold Atlantic tend to produce the greatest precipitation enhancements. Further analysis of the response over the U.S. to the Pacific forcing highlights a number of noteworthy and to some extent unexpected results. These include a seasonal dependence of the precipitation response that is characterized by signal-to-noise ratios that peak in spring, and surface temperature signal-to-noise ratios that are both lower and show less agreement among the models than those found for the precipitation response. Another interesting result concerns what appears to be a substantially different character in the surface temperature response over the U.S. to the Pacific forcing by the only model examined here that was developed for use in numerical weather prediction. The response to the positive SST trend forcing pattern is an overall surface warming over the world's land areas with substantial regional variations that are in part reproduced in runs forced with a globally uniform SST trend forcing. The precipitation response to the trend forcing is weak in all the models.

Schubert, Siegfried↗

Forced and Unforced Variability of Twentieth Century North American Droughts and Pluvials

Research on the forcing of drought and pluvial events over North America is dominated by general circulation model experiments that often have operational limitations (e.g., computational expense, ability to simulate relevant processes, etc). We use a statistically based modeling approach to investigate sea surface temperature (SST) forcing of the twentieth century pluvial (1905-1917) and drought (1932-1939, 1948-1957, 1998-2002) events. A principal component (PC) analysis of Palmer Drought Severity Index (PDSI) from the North American Drought Atlas separates the drought variability into five leading modes accounting for 62% of the underlying variance. Over the full period spanning these events (1900-2005), the first three PCs significantly correlate with SSTs in the equatorial Pacific (PC 1), North Pacific (PC 2), and North Atlantic (PC 3), with spatial patterns (as defined by the empirical orthogonal functions) consistent with our understanding of North American drought responses to SST forcing. We use a large ensemble statistical modeling approach to determine how successfully we can reproduce these drought/pluvial events using these three modes of variability. Using Pacific forcing only (PCs 1-2), we are able to reproduce the 1948-1957 drought and 1905-1917 pluvial above a 95% random noise threshold in over 90% of the ensemble members; the addition of Atlantic forcing (PCs 1-2-3) provides only marginal improvement. For the 1998-2002 drought, Pacific forcing reproduces the drought above noise in over 65% of the ensemble members, with the addition of Atlantic forcing increasing the number passing to over 80%. The severity of the drought, however, is underestimated in the ensemble median, suggesting this drought intensity can only be achieved through internal variability or other processes. Pacific only forcing does a poor job of reproducing the 1932-1939 drought pattern in the ensemble median, and less than one third of ensemble members exceed the noise threshold (28%). Inclusion of Atlantic forcing improves the ensemble median drought pattern and nearly doubles the number of ensemble members passing the noise threshold (52%). Even with the inclusion of Atlantic forcing, the intensity of the simulated 1932-1939 drought is muted, and the drought itself extends too far into the southwest and southern Great Plains. To an even greater extent than the 1998-2002 drought, these results suggest much of the variance in the 1932-1939 drought is dependent on processes other than SST forcing. This study highlights the importance of internal noise and non SST processes for hydroclimatic variability over North America, complementing existing research using general circulation models.

Cook, Benjamin I.↗

Role of Forcing Uncertainty and Background Model Error Characterization in Snow Data Assimilation

Accurate specification of the model error covariances in data assimilation systems is a challenging issue. Ensemble land data assimilation methods rely on stochastic perturbations of input forcing and model prognostic fields for developing representations of input model error covariances. This article examines the limitations of using a single forcing dataset for specifying forcing uncertainty inputs for assimilating snow depth retrievals. Using an idealized data assimilation experiment, the article demonstrates that the use of hybrid forcing input strategies (either through the use of an ensemble of forcing products or through the added use of the forcing climatology) provide a better characterization of the background model error, which leads to improved data assimilation results, especially during the snow accumulation and melt-time periods. The use of hybrid forcing ensembles is then employed for assimilating snow depth retrievals from the AMSR2 (Advanced Microwave Scanning Radiometer 2) instrument over two domains in the continental USA with different snow evolution characteristics. Over a region near the Great Lakes, where the snow evolution tends to be ephemeral, the use of hybrid forcing ensembles provides significant improvements relative to the use of a single forcing dataset. Over the Colorado headwaters characterized by large snow accumulation, the impact of using the forcing ensemble is less prominent and is largely limited to the snow transition time periods. The results of the article demonstrate that improving the background model error through the use of a forcing ensemble enables the assimilation system to better incorporate the observational information.

assimilation↗

Development of neural network force fields for corrosion studies

To fully understand the chemistry and physics of corrosion, novel methods of simulation must be developed. One approach is designing machine learning (ML) algorithms integrated with density functional theory to develop adaptive force fields to gain insight into corrosion behavior namely at the surface of metal oxides. Current methods of modeling corrosion are slow due to the computational cost of resolving both reaction mechanics and mass transport processes. Machine learning methods can be implemented to obtain structure-activity relationships at both the molecular and bulk scale while still retaining the accuracy of density functional theory (DFT) and significantly decreasing the time needed for simulations of complex chemical processes in the various environments of corrosion. Multiscale models are needed for corrosion studies to fully understand its processes not only at the atomic length scale (chemical bonding, energies, and forces), but also at the nano and meso length scales (solid-state physics and material science processes). Current methods of study include DFT, molecular dynamics, and Monte Carlo. The limitation of DFT is that only a small number of atoms or molecules can be simulated at that level of theory. Density functional theory is used to study the electronic structure of atoms and molecules, and calculate the force component of each atom. However, these calculations are limited to about 1000 atoms. Custom periodic boundary conditions (PBC) can be used to describe the various environments and defects that affect the atomic forces to produce a large data set from which a training set can be derived. Machine learning can be utilized to overcome the barrier of modeling macroscopic and multi-scale processes from ab initio calculations through the development of adaptive force fields. Local environments determine the atomic forces of a given system, therefore adaptive force fields must be created to produce reliable quantum mechanical calculations. This can be achieved by developing a learning algorithm that uses the mapped atomic forces or fingerprint as an input to produce energies and magnetic moments as output. A systematic approach was used to begin to build a data set in order to accurately describe the atomic forces in various environments. In Figure 4 below, a simple PBC cell of Fe{sub 2}O{sub 3} was first optimized. A surface optimization was performed next, followed by a hydroxylated surface optimization. Once this calculation has converged, the adsorption of halide species to the hydroxylated surface will be investigated. TensorFlow is an open source platform for machine learning developed by Google. Using a high level application program interface (API) such as Keras allows for building and training ML models easily in a number of different environments and languages. For this project, a neural network was developed within Anaconda in Python. Future Work: Further development of reference data set; Refining neural network and learning algorithm; Fingerprinting atomic environment to enable mapping of atomic force components; Choosing appropriate training set from reference data; Learning from training set and enabling non-linear mapping of training set fingerprints and the atomic forces; Estimation of uncertainty to identify ranges of outside applicability; Testing and analysis of molecular dynamic simulations.

36 MATERIALS SCIENCE↗

Cooperative control of a DNA origami force sensor

Abstract Biomolecular systems are dependent on a complex interplay of forces. Modern force spectroscopy techniques provide means of interrogating these forces, but they are not optimized for studies in constrained environments as they require attachment to micron-scale probes such as beads or cantilevers. Nanomechanical devices are a promising alternative, but this requires versatile designs that can be tuned to respond to a wide range of forces. We investigate the properties of a nanoscale force sensitive DNA origami device which is highly customizable in geometry, functionalization, and mechanical properties. The device, referred to as the NanoDyn, has a binary (open or closed) response to an applied force by undergoing a reversible structural transition. The transition force is tuned with minor alterations of 1 to 3 DNA oligonucleotides and spans tens of picoNewtons (pN). The DNA oligonucleotide design parameters also strongly influence the efficiency of resetting the initial state, with higher stability devices (≳10 pN) resetting more reliably during repeated force-loading cycles. Finally, we show the opening force is tunable in real time by adding a single DNA oligonucleotide. These results establish the potential of the NanoDyn as a versatile force sensor and provide fundamental insights into how design parameters modulate mechanical and dynamic properties.

59 BASIC BIOLOGICAL SCIENCES↗

Uncertainty in land carbon budget simulated by terrestrial biosphere models: the role of atmospheric forcing

Global estimates of the land carbon sink are often based on simulations by terrestrial biosphere models (TBMs). The use of a large number of models that differ in their underlying hypotheses, structure and parameters is one way to assess the uncertainty in the historical land carbon sink. Here we show that the atmospheric forcing datasets used to drive these TBMs represent a significant source of uncertainty that is currently not systematically accounted for in land carbon cycle evaluations. We present results from three TBMs each forced with three different historical atmospheric forcing reconstructions over the period 1850–2015. We perform an analysis of variance to quantify the relative uncertainty in carbon fluxes arising from the models themselves, atmospheric forcing, and model-forcing interactions. We find that atmospheric forcing in this set of simulations plays a dominant role on uncertainties in global gross primary productivity (GPP) (75% of variability) and autotrophic respiration (90%), and a significant but reduced role on net primary productivity and heterotrophic respiration (30%). Atmospheric forcing is the dominant driver (52%) of variability for the net ecosystem exchange flux, defined as the difference between GPP and respiration (both autotrophic and heterotrophic respiration). In contrast, for wildfire-driven carbon emissions model uncertainties dominate and, as a result, model uncertainties dominate for net ecosystem productivity. At regional scales, the contribution of atmospheric forcing to uncertainty shows a very heterogeneous pattern and is smaller on average than at the global scale. We find that this difference in the relative importance of forcing uncertainty between global and regional scales is related to large differences in regional model flux estimates, which partially offset each other when integrated globally, while the flux differences driven by forcing are mainly consistent across the world and therefore add up to a larger fractional contribution to global uncertainty.

54 ENVIRONMENTAL SCIENCES↗

FORCE Update 2024

The Framework for Optimization of Resources and Economics (FORCE) tool suite is the U.S. Department of Energy’s Nuclear Integrated Energy Systems (IES) Program flagship tool suite for technoeconomic IES analysis of IES. This tool suite is useful for analysis designed to evaluate and improve the technoeconomics of energy production systems, particularly for systems including nuclear technology. In this report, we document the development activity for the FORCE tool suite to extend its capabilities as performed during fiscal year 2024. In addition to reliability and accessibility, capability is one of the three standards guiding the development of the FORCE tool suite and the software codes that are its constituent parts. Extending the capabilities of the FORCE tool suite allows analysis both within the IES program as well as industry, university, and laboratory partners to perform analysis with more accuracy, insight, and impactful narrative. Four areas of capability development were the focus of activity this year: economic parameter uncertainty quantification, multiresolution analysis, components-to-optimization workflow automation, and statespace construction workflows for real-time optimal control. In economic parameter uncertainty quantification, the ability of HERON to capture risk due to scenarios (weather and energy demand uncertainty) was expanded to also include uncertainties in financial parameters such as capital cost or operation and maintenance costs. By including these sources of uncertainty, which are sometimes very large compared with scenario uncertainty, HERON is better able to capture the risk posed by investment in various IES technology. Because of this, analysts can also consider the reduction in risks that can be realized by choice of some technologies. In multiresolution analysis, development activity extended on work completed previously. In fiscal year 2023, methods for decomposing time series signals, such as demand, solar and wind availability, and price profiles, were analyzed and down-selected to those most effective at splitting signals into different resolutions. These resolutions allow considering the influence of different energy demand and supply behaviors across different time scales. For example, energy demand might be divided into seasonal, weekly, and hourly profiles. In fiscal year 2024, this preliminary work was extended and implemented within the Risk Analysis Virtual Environment (RAVEN) risk and uncertainty analysis platform, which is used throughout the FORCE framework. This development of the “multi-resolution time series analysis” (MR-TSA) module in RAVEN allows training synthetic history generators on complex time series. These synthetic history generators can then be used in HERON for generating scenarios that represent possible market and weather scenarios that can be analyzed on different time scales. We envision completing this work in the future, implementing multiresolution dispatch optimization strategies that can make the most beneficial use of these stratified time histories. In components-to-optimization workflow development, workflows for translating user inputs of components into algorithms for algebraic optimization were selected and implemented. Similar algorithms within the Holistic Energy Resource Optimization Network (HERON) were separated from the main code base of HERON and gathered with the components-to-optimization workflows in the new Dispatch Optimization Variable Engine (DOVE) software library. This modularization allows FORCE users to analyze dispatch optimization and energy system duty cycles independently of HERON, which previously was a burdensome task. Additionally, these dispatch optimization algorithms, set up in an independent library, can now be used across all software applications within FORCE, especially including the real-time optimal control software Optimization of Real-time Capacity Allocation (ORCA). Allowing FORCE software to share dispatch optimization algorithms within a single library allows for improved software maintenance and reliability. In statespace characterization workflow development, alternative workflows for optimizing dispatch with additional technical accuracy was the focus, particularly to improve the real-time optimization decision making in ORCA. Using algorithms and workflows initially developed for the Feasible Actuator Range Modifier (FARM), workflows for determining the statespace representation of IES were identified and demonstrated. The resulting dispatch optimization required a more robust optimization algorithm than that originally used in HERON (and moved to DOVE), which required adding an alternate workflow to DOVE that can more accurately match the behavior of physical systems using a partial differential equation representation. In conclusion, capability developments in the FORCE tool suite in fiscal year 2024 have improved the ability of the FORCE tool suite to perform

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Detection of Forced Change Within Combined Climate Fields Using Explainable Neural Networks

Abstract Assessing forced climate change requires the extraction of the forced signal from the background of climate noise. Traditionally, tools for extracting forced climate change signals have focused on one atmospheric variable at a time, however, using multiple variables can reduce noise and allow for easier detection of the forced response. Following previous work, we train artificial neural networks to predict the year of single‐ and multi‐variable maps from forced climate model simulations. To perform this task, the neural networks learn patterns that allow them to discriminate between maps from different years—that is, the neural networks learn the patterns of the forced signal amidst the shroud of internal variability and climate model disagreement. When presented with combined input fields (multiple seasons, variables, or both), the neural networks are able to detect the signal of forced change earlier than when given single fields alone by utilizing complex, nonlinear relationships between multiple variables and seasons. We use layer‐wise relevance propagation, a neural network explainability tool, to identify the multivariate patterns learned by the neural networks that serve as reliable indicators of the forced response. These “indicator patterns” vary in time and between climate models, providing a template for investigating inter‐model differences in the time evolution of the forced response. This work demonstrates how neural networks and their explainability tools can be harnessed to identify patterns of the forced signal within combined fields.

54 ENVIRONMENTAL SCIENCES↗

Explaining Forcing Efficacy With Pattern Effect and State Dependence

The magnitude of global surface temperature change in response to unit radiative forcing depends on the type and magnitude of forcing agent—a concept known as a “forcing efficacy.” However, the mechanisms behind the forcing efficacy are still unclear. In this study, we perform a set of simulations using CESM1 to calculate the efficacy of 10 different forcing agents defined in terms of fixed-SST effective radiative forcing, and then use a Green's function approach to show that each forcing efficacy can be largely understood in terms of the radiative feedbacks associated with the different surface temperature patterns induced by the forcing agents (a pattern effect). We also quantify how the state dependence of feedbacks on global mean surface temperature anomalies impacts forcing efficacies. The results show that the forcing efficacy can be well reconstructed with a combination of pattern effect and state dependence.

58 GEOSCIENCES↗

Toward quantum Monte Carlo forces on heavier ions: Scaling properties

Quantum Monte Carlo (QMC) forces have been studied extensively in recent decades because of their importance with spectroscopic observables and geometry optimization. Here, we benchmark the accuracy and computational cost of QMC forces. The zero-variance zero-bias (ZVZB) force estimator is used in standard variational and diffusion Monte Carlo simulations with mean-field based trial wavefunctions and atomic pseudopotentials. Statistical force uncertainties are obtained with a recently developed regression technique for heavy tailed QMC data [P. Lopez Rios and G. J. Conduit, Phys. Rev. E 99, 063312 (2019)]. By considering selected atoms and dimers with elements ranging from H to Zn (1 ≤ Z eff ≤ 20), we assess the accuracy and the computational cost of ZVZB forces as the effective pseudopotential valence charge, Z eff , increases. We find that the costs of QMC energies and forces approximately follow simple power laws in Zeff. The force uncertainty grows more rapidly, leading to a best case cost scaling relationship of approximately Z e ff 6.5 ( 3 ) for diffusion Monte Carlo. We find that the accessible system size at fixed computational cost scales as Z e ff − 2 , insensitive to model assumptions or the use of the “space warp” variance-reduction technique. Our results predict the practical cost of obtaining forces for a range of materials, such as transition metal oxides where QMC forces have yet to be applied, and underscore the importance of further developing force variance-reduction techniques, particularly for atoms with high Z eff .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electromagnetic coil optimization for reduced Lorentz forces

Abstract The reduction of magnetic forces on electromagnetic coils is an important consideration in the design of high-field devices such as the stellarator or tokamak. Unfortunately, these forces may be too time-consuming to evaluate by conventional finite element modeling within an optimization loop. Although mutual forces can be computed rapidly by approximating large-bore coils as infinitely thin, this approximation does not hold for self-forces as it leads to an unphysical divergence. Recently, a novel reduced model for the self-field, self-force, and self-inductance of electromagnetic coils based on filamentary models was rigorously derived and demonstrated to be highly accurate and numerically efficient to evaluate (Hurwitz et al 2024 IEEE Trans. Magn. 60 7001614). In this paper, we present an implementation of the reduced self-force model employing automatic differentiation within the simsopt stellarator design software and use it in derivative-based coil optimization for a quasi-axisymmetric stellarator. We show that it is possible to significantly reduce point-wise forces throughout the coils, though this comes with trade-offs to fast particle losses and the minimum distance between coils and the plasma surface. The trade-off between magnetic forces and coil-surface distance is mediated by the minimum coil–coil distance for coils near the inboard side of the ‘bean’ cross-section of the plasma. The relationship between forces and fast particle losses is mediated by the normal field error. Coil forces can be lowered to a threshold with minimal deterioration to losses. Importantly, the magnet optimization approach here can be used also for tokamaks, other fusion concepts, and applications outside of fusion.

Hurwitz, Siena (ORCID:0000000166599659)↗

Future projections of storm surge in Hurricane Katrina and sensitivity to meteorological forcing resolution

In this study, we investigated whether and how the storm surge induced by Hurricane Katrina could change if it occurs in a future warmer climate, and the sensitivity of the changes to atmospheric forcing resolution. Climate model simulations of Hurricane Katrina at 27 km, 4.5 km, and 3 km resolutions were used to drive storm surge simulations in historical and future climates using the ADvanced CIRCulation (ADCIRC) model. We found that peak surge height increased significantly in the future with all forcing resolutions. However, the future projection is 22% greater in the 3 km forcing, typical of regional climate models, compared to the 27 km forcing, typical of state-of-the-art global climate models. Additionally, the spatial extent of the future change is highly sensitive to forcing resolution, extending most broadly under the 27 km forcing. Furthermore, we found that storm surge duration decreases in the future with all forcing resolutions due to increasing TC translation speed and decreasing ocean lifetime. However, the future change in the surge duration is sensitive to the forcing resolution, decreasing by 31% in the 27 km forcing and 6% in the 3 km forcing.

54 ENVIRONMENTAL SCIENCES↗

Forced Component Estimation Statistical Method Intercomparison Project (ForceSMIP)

Anthropogenic climate change is unfolding rapidly, yet its regional manifestation can be obscured by internal variability. A primary goal of climate science is to identify the externally forced climate response from among the noise of internal variability. Separating the forced response from internal variability can be addressed in climate models by using a large ensemble to average over different possible realizations of internal variability. However, with only one realization of the real world, it is a major challenge to isolate the forced response directly in observations. In the Forced Component Estimation Statistical Method Intercomparison Project (ForceSMIP), contributors used existing and newly developed statistical and machine learning methods to estimate the forced response over 1950–2022 within individual realizations of the climate system. Participants used neural networks, linear inverse models, fingerprinting methods, and low-frequency component analysis, among other approaches. These methods were trained using large ensembles from multiple climate models and then applied to observations. Here, we evaluate method performance within large ensembles and investigate the estimates of the forced response in observations. Our results show that many different types of methods are skillful for estimating the forced response in climate models, though the relative skill of individual methods varies depending on the variable and evaluation metric. Methods with comparable skill in models can give a wide range of estimates of the forced response pattern in observations, illustrating the epistemic uncertainty in forced response estimates. ForceSMIP gives new insights into the forced response in observations, its uncertainty, and methods for its estimation.

Climate attribution↗

Connection forces in deformable multibody dynamics

In the dynamic formulation of holonomic and nonholonomic systems based on D'Alembert-Lagrange equation, the forces of constraints are maintained in the dynamic equations by introducing auxiliary variables, called Lagrange multipliers. This approach introduces a set of generalized reaction forces associated with the system generalized coordinates. Different sets of variables can be used as generalized coordinates and accordingly, the generalized reactions associated with these generalized coordinates may not be the actual reaction forces at the joints. In rigid body dynamics, the generalized reaction forces and the actual reaction forces at the joints represent equipollent systems of forces since they produce the same total forces and moments at and about any point on the rigid body. This is not, however, the case in deformable body analyses wherein the generalized reaction forces depend on the system generalized reference and elastic coordinates. In this paper, a method for determining the actual reaction forces at the joints from the generalized reaction forces in deformable multibody systems is presented.

Shabana, A. A.↗

Effective Forces Between Colloidal Particles

Colloidal suspensions have proven to be excellent model systems for the study of condensed matter and its phase behavior. Many of the properties of colloidal suspensions can be investigated with a systematic variation of the characteristics of the systems and, in addition, the energy, length and time scales associated with them allow for experimental probing of otherwise inaccessible regimes. The latter property also makes colloidal systems vulnerable to external influences such as gravity. Experiments performed in micro-ravity by Chaikin and Russell have been invaluable in extracting the true behavior of the systems without an external field. Weitz and Pusey intend to use mixtures of colloidal particles with additives such as polymers to induce aggregation and form weak, tenuous, highly disordered fractal structures that would be stable in the absence of gravitational forces. When dispersed in a polarizable medium, colloidal particles can ionize, emitting counterions into the solution. The standard interaction potential in these charged colloidal suspensions was first obtained by Derjaguin, Landau, Verwey and Overbeek. The DLVO potential is obtained in the mean-field linearized Poisson-Boltzmann approximation and thus has limited applicability. For more precise calculations, we have used ab initio density functional theory. In our model, colloidal particles are charged hard spheres, the counterions are described by a continuum density field and the solvent is treated as a homogeneous medium with a specified dielectric constant. We calculate the effective forces between charged colloidal particles by integrating over the solvent and counterion degrees of freedom, taking into account the direct interactions between the particles as well as particle-counterion, counterion-counterion Coulomb, counterion entropic and correlation contributions. We obtain the effective interaction potential between charged colloidal particles in different configurations. We evaluate two- and three-body forces in the bulk as well as study the influence of soft walls. We qualitatively explain the effects of the walls on the forces and demonstrate that many-body effects are negligible in our system. With adjustments in the parameters, the DLVO pair-potential can describe the results quantitatively. Besides electrostatic interactions, entropic depletion effects that arise from (hard-core) exclusion play an important role in determining the behavior of multi-component colloidal suspensions. A standard theory for depletion forces is due to Asakura and Oosawa and is based on the ideal gas approximation. To go beyond this approximation, we have studied entropic forces in molecular dynamics simulations of systems of hard spheres (the effects of the solvent have been ignored). The effective depletion forces for these systems can be found either from equilibrium distribution functions or from direct momentum transfer calculations. Our results obtained by either method show qualitative differences from the Asakura-Oosawa forces, indicating a longer range, higher value at contact and most importantly a more complicated structure, comprising of several maxima and minima. Our calculations include the determination of effective forces between two spheres, a hard sphere and a wall, and the behavior of a hard sphere near a step-edge and a corner. We also demonstrate that such entropic forces do not necessarily satisfy pairwise additivity.

Tehver, Riina↗

Optical Modification of Casimir Forces for Improved Function of Micro-and Nano-Scale Devices

Recently, there has been a considerable effort to study the Casimir and van der Waals forces, enabled by the improved ability to measure small forces near surfaces. Because of the continuously growing role of micro- and nanomechanical devices, the focus of this activity has shifted towards the ability to control these forces. Possible approaches to manipulating the Casimir force include development of composite materials, engineered nanostructures, mixed-phase materials, or active elements. So far, practical success has been limited. The role of geometrical factors in the Casimir force is significant. It is known, for example, that the Casimir force between two spherical shells enclosed one into the other is repulsive instead of normal attractive. Unfortunately, nanosurfaces with this topology are very difficult to make. A more direct approach to manipulating and neutralizing the Casimir force is using external mechanical or electromagnetic forces. Unfortunately, the technological overhead of such an approach is quite large. Using electromagnetic compensation instead of mechanical will considerably reduce this overhead and at the same time provide the degree of control over the Casimir force that mechanical springs cannot provide. A mechanical analog behind Casimir forces is shown.

Strekalov, Dmitry V.↗

Single-Vector Calibration of Wind-Tunnel Force Balances

An improved method of calibrating a wind-tunnel force balance involves the use of a unique load application system integrated with formal experimental design methodology. The Single-Vector Force Balance Calibration System (SVS) overcomes the productivity and accuracy limitations of prior calibration methods. A force balance is a complex structural spring element instrumented with strain gauges for measuring three orthogonal components of aerodynamic force (normal, axial, and side force) and three orthogonal components of aerodynamic torque (rolling, pitching, and yawing moments). Force balances remain as the state-of-the-art instrument that provide these measurements on a scale model of an aircraft during wind tunnel testing. Ideally, each electrical channel of the balance would respond only to its respective component of load, and it would have no response to other components of load. This is not entirely possible even though balance designs are optimized to minimize these undesirable interaction effects. Ultimately, a calibration experiment is performed to obtain the necessary data to generate a mathematical model and determine the force measurement accuracy. In order to set the independent variables of applied load for the calibration 24 NASA Tech Briefs, October 2003 experiment, a high-precision mechanical system is required. Manual deadweight systems have been in use at Langley Research Center (LaRC) since the 1940s. These simple methodologies produce high confidence results, but the process is mechanically complex and labor-intensive, requiring three to four weeks to complete. Over the past decade, automated balance calibration systems have been developed. In general, these systems were designed to automate the tedious manual calibration process resulting in an even more complex system which deteriorates load application quality. The current calibration approach relies on a one-factor-at-a-time (OFAT) methodology, where each independent variable is incremented individually throughout its full-scale range, while all other variables are held at a constant magnitude. This OFAT approach has been widely accepted because of its inherent simplicity and intuitive appeal to the balance engineer. LaRC has been conducting research in a "modern design of experiments" (MDOE) approach to force balance calibration. Formal experimental design techniques provide an integrated view to the entire calibration process covering all three major aspects of an experiment; the design of the experiment, the execution of the experiment, and the statistical analyses of the data. In order to overcome the weaknesses in the available mechanical systems and to apply formal experimental techniques, a new mechanical system was required. The SVS enables the complete calibration of a six-component force balance with a series of single force vectors.

Parker, P. A.↗