Lumped Kinetic Molecular Method

The lumped kinetic molecular method (LKM) is a particle-based method for modeling gases. The lumped kinetic molecular method:

  • can be used to simulate airbag deployment;
  • uses PD3D elements to model lumped gas molecules; and
  • uses a particle generator to model an airbag inflator.

This page discusses:

Introduction

The lumped kinetic molecular method (LKM) is a particle method that approximates the macroscopic behavior of a gas. It is based on the kinetic theory of gases that assumes that all gases are composed of an enormous number of extremely small molecules in a constant state of random motion. For example, only four grams of helium contain 6.023×1023 molecules with a Van der Waals radius of 140×109 m. The presence of such a large number of molecules allows for the motion of the gas molecules to be treated in a statistical manner. The average behavior of the molecules determines the macroscopic gas behavior. Because numerical modeling of every gas molecule is impractical, the LKM method reduces the size of the problem by lumping many gas molecules into a single gas particle (preserving the macroscopic gas behavior). In the LKM method we solve for the motion of gas particles.

According to the kinetic theory of gases, the Maxwell-Boltzmann distribution describes the speed of the gas molecules at a given temperature. Figure 1 shows the Maxwell-Boltzmann speed distribution for helium atoms at a temperature of 300 Kelvin. The molecules of gas collide elastically with each other, as well as with the walls of the container. The pressure on the container wall is the result of collisions with the wall. The root mean square (RMS) velocity of the gas particles is given by Vrms=3KTm, where m is the mass of the gas molecule, and T is the absolute temperature of the gas. This link between speed and temperature allows the solution of the gas flow problem in terms of its molecular velocities as a fundamental problem variable.

Maxwell-Boltzmann speed function.

The LKM method is based on the following assumptions:

  • Lumped particles are rigid spherical particles that collide elastically.
  • Lumped particles obey the Maxwell-Boltzmann speed distribution.
  • Lumped particles modeling a monatomic gas have only translational energy.
  • Lumped particles modeling a polyatomic gas have both translational and rotational energy.
  • The temperature of the gas is low enough to ignore vibrational energy.
  • No attractive or repulsive forces exist between particles.
  • The pressure exerted by the gas on a structure is the combined result of particle collisions over time on the surface.

The accuracy of the prediction of the LKM method depends on the size and the number of lumped molecules. Using too few particles or using particles that are too large can lead to inaccurate solutions. While a large number of particles in general increases the accuracy of the solution, it also increases the computational cost. The optimal number of particles that gives an accurate solution at an acceptable computational cost depends on the amount of gas, the cavity size, and the discretization of the cavity surface mesh. For a small-sized problem, 100,000 gas particles may be sufficient, while for a larger problem, 400,000 gas particles may be required. A general guideline is that the number of particles should be large enough such that the ratio of the average facet mass to the gas particle mass is above 30. This ratio is printed in the status (.sta) file. You can use this ratio to check if the number of particles is sufficient for the analysis.

Applications

The LKM method can be used to simulate the deployment of airbags. Such types of analyses are commonly performed as part of the occupant safety assessment of automobiles. Airbags are safety devices that minimize injury to occupants during a vehicle crash. During a crash an airbag undergoes rapid inflation followed by deflation, which cushions the impact between an occupant and the interior of the vehicle. There are various types of airbags, such as the driver airbag that is placed in the steering wheel, the side curtain airbag that is placed in the door panel, and the side torso airbag that is placed in the seat. Most airbags consist of a bag made out of a flexible fabric, an inflator device, an electronic controller, and sensors. Different types of inflators are used for the different types of airbags. Most inflators consist of a cylindrical metal housing that contains the propellant and an igniter. There are orifices in the housing of the inflator through which hot gases escape when the inflator is fired.

The airbag can be tightly folded or wrapped around the inflator to fit the assembly in a confined space such as the steering wheel. In the event of a crash, the controller unit evaluates the signals from the sensors and fires the igniter, setting off a controlled explosion in the inflator. The rapidly expanding gases exit through the orifices in the inflator housing to deploy the airbag. The deployment duration depends on the size and type of airbag and is usually between 20-30 milliseconds. Finally, as the airbag gets squeezed between the occupant and the vehicle, the gases escape through vents in the airbag causing the airbag to deflate.

Figure 2 shows a sectional view of a partially deployed curtain airbag in contact with a rigid hemispherical head form. A close-up view of a tiny volume of the gas in the figure shows the randomly moving gas particles. In the simulation the inflator introduces gas particles inside the airbag, imparting each particle a random speed based on the Maxwell-Boltzmann speed function and a random direction for its velocity. The impact of the fast moving gas particle against the facets of the airbag results in the transfer of energy between the gas and the airbag. The speed of a gas particle decreases as it collides with a facet that is moving away from it, and the speed increases when the gas particle collides with a facet that is moving towards it. All collisions are elastic. The inflator continues to introduce more gas particles into the airbag, pushing it open. As the speed of more gas particles decrease after collision with the expanding airbag, the root mean square (RMS) velocity of the gas particles decreases. This decrease in the average velocity of the lumped molecules is equivalent to the cooling of the injected gas.

Partially deployed airbag.

Model Set-Up

A fluid cavity must be associated with the airbag interior surface. The fluid cavity is used only to calculate a cavity volume. The cavity volume is used to compute the output average pressure in the cavity. The fluid cavity does not contribute any pressure loading. The pressure loading is due only to particle impacts.

For the LKM method, you must specify the universal gas constant and the Ludwig Boltzmann constant.

Defining an Inflator

An inflator is a device that injects gas into an airbag during deployment. The particle generator works as an inflator for the LKM method. During the analysis, the particle generator injects gas particles at specific locations inside the airbag. The particle generator must be associated with the gas behavior and with the mass flow rate and the temperature history of the inflator to determine the number of particles to add per time increment and their velocities. The fluid cavity associated with the airbag must also be associated with the particle generator. See Particle Generator for further details.

LKM particles of a given gas species have the same size. The size is determined automatically from the estimated maximum airbag volume and the ratio of the assumed mean free path to the size of the lumped molecule. The actual mean free path is the average distance lumped particles travel between collisions, and it is an unknown quantity. You must specify the maximum airbag volume in the particle generator definition. A reasonable estimate of the maximum airbag volume results in a good balance between accuracy and performance.

The ratio of the assumed mean free path to the size of a lumped molecule is used only for determining the size of the gas particles. The default value of this ratio is 500. The default value works well for most airbag models. To reduce the automatically calculated particle size, you can increase the value of this ratio. The actual ratio of the mean free path to the particle size is an outcome of the solution and depends on the particle concentration during the analysis.

Defining Inflator Geometry

Inflators come in different shapes and sizes depending on the airbag in which they are used. Typically, the gas is injected through orifices that are located around the inflator housing. Figure 3 shows a schematic diagram of a side-firing inflator device with orifices arranged around the side of the inflator housing. The particle generator that works as the inflator in the LKM method only requires the location and orientation of the orifices of the inflator. A single planar facet can be used to approximate an orifice. Figure 4 shows the inlet facets of the corresponding particle generator model. The center of each facet coincides with each of the corresponding nine inflator orifice centers. The outward normal shown on each of the facets indicates the direction in which the gas particles are generated. Gas particles are generated in random directions in the front half plane of each facet of the inlet surface. The facets together form the inlet surface of the particle generator. It is recommended that you use surface elements to define the inlet facets. The particle generator uses the inlet facets merely as geometrical entities through which particles are injected into the problem domain. The gas particles do not have any contact interaction with the inlet facet. Therefore, it is important that you ensure that contact is not defined between the inlet surface and the gas particles.

Inflator.

Inflator modeled with particle generator.

The inlet facet should be many times larger than the actual particle diameter. This ensures that the particle generator is able to inject a large number of particles without blocking the inlet facets. The approximation of the orifice geometry and size with a single planar facet does not have a significant influence on the accuracy of the solution. The location of the inlet facets inside the airbag, the facet arrangement, and the facet orientation are important to capture where and how the gas is injected into the airbag. The inlet facets should be rigidly attached to the structure. This ensures that the inlet facets maintain their shape and size and undergo rigid body motion as the structure deforms and moves. You can use a BEAM MPC type to rigidly connect the nodes of the inlet facet to the structure.

For further details on defining inlet geometry and inlet blocking behavior of a particle generator, see Particle Generator.

Defining Inflator Mass Flow Rate and Temperature Data

The mass flow rate and temperature data are used to generate lumped molecules for a gas species. The mass flow rate and temperature of a gas species can be specified in tabular form. This form of specifying the mass flow rate and temperature for the inflator is identical to the uniform pressure method (see Inflator Definition).

The fluid inflator properties must be associated with a particle generator. The particle generator uses the mass flow rate to determine the incremental amount of gas that must be generated at any given time. The particle generator ensures that an equivalent number of particles are generated. The mass of a gas particle depends on the total amount of gas and the maximum number of particles requested. For further details on how the particle generator accounts for the incremental mass that must be generated, see Particle Generator.

Triggering the Inflator

There is usually a time lag between the start of the analysis and the deployment of the airbag in a crash simulation. In the LKM method this time delay is introduced through an amplitude curve. The common form of such a curve is the step function. The area under the amplitude curve is the value of the time the particle generator uses to look up the fluid inflator property data to compute the mass flow rate and the temperature of each gas species. The particle generator begins firing when the step-function curve becomes nonzero. You can use a constant unit amplitude curve for zero time delay.

Elements

The LKM method uses PD3D elements to model the lumped gas molecules. The actual elements are generated automatically during the analysis and appended to the element set associated with the discrete section. The properties of the specific gas species are associated with the elements by referring to the fluid behavior from the discrete section.

Abaqus/Explicit computes the size and mass of lumped molecules automatically. The density specified on the discrete section definition is ignored in the LKM method. The mass and rotary inertia proportional damping value on the discrete section definition are also ignored.

Usually, gas particles are contained, but sometimes a few particles can escape and cause numerical problems. To deactivate contact between particles that leak out of the airbag with the surrounding structures, you can specify the coordinates of the lower left corner and upper right corner of a control box. You should ensure that the control box is large enough to accommodate the fully deployed airbag including any motion of the airbag. All collisions of particles outside the control box are ignored. You can specify the name of the section control on the discrete section to associate the control box with the airbag.

Switching from Lumped Kinetic Molecular Method to Uniform Pressure Method

During the early phase of deployment, the pressure inside the airbag is nonuniform. The LKM method can capture such nonuniformity of pressure inside the airbag. During the early phases of deployment, it is recommended that you use the LKM method. As the bag approaches full deployment, the pressure inside the airbag tends toward a uniform value. The uniform pressure method (UPM) is computationally efficient for such situations. Therefore, for computational efficiency, switching from LKM to UPM when the airbag has nearly deployed is desirable. You can specify the time when Abaqus/Explicit switches from LKM to UPM. At the point of switching, the particles are deactivated and their motion is frozen. You should exercise caution when specifying the switching time. Switching too early when the pressure in the airbag is nonuniform can result in an inaccurate solution, while switching too late sacrifices computational efficiency. Another important reason to switch from LKM to UPM is to account for leakage of gas via vents and fabric of the airbag. You can activate the exchange of fluid between the airbag and its environment at the same time as the switching occurs. For more information, see Fluid Exchange Definition.

Interactions

In the LKM method particles collide elastically with each other, as well as with the surrounding structure. All collisions preserve the momentum, as well as the energy of the particles. Because contact interactions form the basis for the LKM method, the general contact definition for LKM is very similar to the general contact definition for a discrete element method model. Each LKM particle is typically involved in the following contact interactions:

  • Contact with another particle from the same gas species.
  • Contact with a structural facet.

Separate element-based surfaces spanning particles of each gas species must be used to list each of the above contact interactions. A surface interaction must be defined for each of the contact interactions involving the particles. A special pressure-overclosure type is required to ensure purely elastic collisions. Dissipative contact interactions such as friction and contact damping are ignored for the LKM method.

Abaqus/Explicit adjusts the time increment automatically to ensure that lumped molecules are tracked accurately.

Output

The local pressure at any instant of time on a patch of elements is the sum of the particle impact forces divided by the area of the patch. Due to the discrete nature of the impacts, the local pressure is noisy. Therefore, filtering is recommended for any local pressure computation. In the LKM method the mass, average temperature, and average pressure of a gas species are of interest. Three integrated output variables (PDMASS, PDTEMP, and PDPAVG) can be used to request history output for mass, average temperature, and average pressure for a specific gas species.

Limitations

The following limitations apply:

  • Only the particle generator can inject gas in the fluid cavity in the LKM method. Therefore, the initial gas cannot be modeled in the LKM method. To approximate the initial gas, the particle generator can be fired for a short duration and then halted at the start of the analysis before the main analysis.
  • The LKM method cannot be used in conjunction with other particle methods, such as SPH or DEM.
  • An LKM analysis with more than one interacting gas species is not supported.

Input File Template

PHYSICAL CONSTANTS, UNIVERSAL GAS CONSTANT=R, BOLTZMANN=K
...
FLUID CAVITY, REF NODE=flucavrefnode, SURFACE=airbag_surface, ADIABATIC, 
BEHAVIOR=air_gas, AMBIENT PRESSURE=value of ambient pressure
...
DISCRETE SECTION, ELSET=air_particles, FLUID BEHAVIOR=air_gas, CONTROLS=lkm ccontrol
blank data line
SECTION CONTROLS, NAME=lkm control
blank data line
blank data line
cxl, cyl, czl, cux, cuy, cuz, 1
FLUID BEHAVIOR, NAME=air_gas
MOLECULAR WEIGHT
value of molecular weight
CAPACITY, TYPE=polynomial
value of heat capacity coefficients separated by commas
...
PARTICLE GENERATOR, NAME=inflator, MAXIMUM NUMBER OF PARTICLES=number of particles, 
FLUID CAVITY REFNODE=flucavrefnode, CAVITY VOLUME=final volume of airbag 
PARTICLE GENERATOR INLET, SURFACE=name of inlet surface
...
PARTICLE GENERATOR MIXTURE
air_particles
...
FLUID INFLATOR PROPERTY, NAME=inflator prop, TYPE=TEMPERATURE AND MASS
time0, temp0, M0
time1, temp1, M1
...
FLUID INFLATOR MIXTURE, NUMBER SPECIES=1, TYPE=MASS FRACTION
air
time0, 1.0
time1, 1.0
...
SURFACE, NAME=gas_surf
SURFACE, NAME=wall_surf
SURFACE INTERACTION, NAME=lkm_inter
SURFACE BEHAVIOR, PRESSURE-OVERCLOSURE=LKM
...
STEP
DYNAMIC, EXPLICIT, ELEMENT BY ELEMENT 
 , total time
PARTICLE GENERATOR FLOW, FLUID INFLATOR PROPERTY=inflator prop,
GENERATION TIME AMPLITUDE=gen time amp, FLOW AMPLITUDE=flow amp, MASS FLOW RATE TYPE=TOTAL
...
CONTACT
CONTACT INCLUSIONS
gas_surf, gas_surf
gas_surf, wall_surf
CONTACT PROPERTY ASSIGNMENT
gas_surf, gas_surf, lkm_inter
gas_surf, wall_surf, lkm_inter